USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 827 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 5 THR OG1 : rot 120:sc= 0.42 USER MOD Single : A 7 LYS NZ :NH3+ 141:sc= -0.0173 (180deg=-1.11) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 54:sc= -1.26! USER MOD Single : A 26 THR OG1 : rot -24:sc= 1.03 USER MOD Single : A 27 GLN :FLIP amide:sc= -3.32! C(o=-4.2!,f=-3.3!) USER MOD Single : A 30 ASN : amide:sc= -2.08 K(o=-2.1,f=-8.7!) USER MOD Single : A 31 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0226) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 67:sc= 1.26 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.051 X(o=-0.051,f=0) USER MOD Single : A 42 ASN : amide:sc= -0.727 X(o=-0.73,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -48:sc= 0.805 USER MOD Single : A 61 THR OG1 : rot 35:sc= -0.0576 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0683 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 53:sc= 1 USER MOD Single : A 69 MET CE :methyl -169:sc= -1.53 (180deg=-1.8) USER MOD Single : A 72 ASN : amide:sc= -0.0656 X(o=-0.066,f=-0.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.423 F(o=-0.95!,f=-0.42) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.88 K(o=-0.88,f=-2.7!) USER MOD Single : A 100 GLN :FLIP amide:sc= -2.89 F(o=-3.6!,f=-2.9) USER MOD Single : A 101 THR OG1 : rot 172:sc= -0.824 USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 80:sc= 0.13 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 13 N PHE A 2 12.829 -10.195 4.135 1.00 0.00 N ATOM 14 CA PHE A 2 11.458 -10.195 4.625 1.00 0.00 C ATOM 15 C PHE A 2 11.460 -10.714 6.065 1.00 0.00 C ATOM 16 O PHE A 2 11.030 -11.820 6.400 1.00 0.00 O ATOM 17 CB PHE A 2 10.573 -11.118 3.799 1.00 0.00 C ATOM 18 CG PHE A 2 9.763 -10.380 2.749 1.00 0.00 C ATOM 19 CD1 PHE A 2 10.411 -9.790 1.688 1.00 0.00 C ATOM 20 CD2 PHE A 2 8.403 -10.258 2.788 1.00 0.00 C ATOM 21 CE1 PHE A 2 9.685 -9.108 0.717 1.00 0.00 C ATOM 22 CE2 PHE A 2 7.797 -9.555 1.765 1.00 0.00 C ATOM 23 CZ PHE A 2 8.481 -8.984 0.727 1.00 0.00 C ATOM 0 HA PHE A 2 11.069 -9.179 4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 2 11.196 -11.867 3.309 1.00 0.00 H new ATOM 0 HB3 PHE A 2 9.895 -11.653 4.464 1.00 0.00 H new ATOM 0 HD1 PHE A 2 11.486 -9.857 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 2 7.824 -10.695 3.588 1.00 0.00 H new ATOM 0 HE1 PHE A 2 10.232 -8.660 -0.099 1.00 0.00 H new ATOM 0 HE2 PHE A 2 6.722 -9.450 1.786 1.00 0.00 H new ATOM 0 HZ PHE A 2 7.966 -8.443 -0.054 1.00 0.00 H new ATOM 33 N ASP A 3 11.985 -9.841 6.964 1.00 0.00 N ATOM 34 CA ASP A 3 12.017 -10.267 8.326 1.00 0.00 C ATOM 35 C ASP A 3 12.381 -9.186 9.324 1.00 0.00 C ATOM 36 O ASP A 3 12.963 -9.519 10.374 1.00 0.00 O ATOM 37 CB ASP A 3 13.043 -11.412 8.482 1.00 0.00 C ATOM 38 CG ASP A 3 14.420 -11.000 7.984 1.00 0.00 C ATOM 39 OD1 ASP A 3 14.576 -10.712 6.791 1.00 0.00 O ATOM 40 OD2 ASP A 3 15.383 -10.946 8.739 1.00 0.00 O ATOM 0 H ASP A 3 12.358 -8.913 6.763 1.00 0.00 H new ATOM 0 HA ASP A 3 10.997 -10.580 8.551 1.00 0.00 H new ATOM 0 HB2 ASP A 3 13.107 -11.704 9.530 1.00 0.00 H new ATOM 0 HB3 ASP A 3 12.701 -12.286 7.928 1.00 0.00 H new ATOM 45 N GLY A 4 12.045 -7.941 8.985 1.00 0.00 N ATOM 46 CA GLY A 4 12.447 -6.977 10.034 1.00 0.00 C ATOM 47 C GLY A 4 11.620 -5.749 9.721 1.00 0.00 C ATOM 48 O GLY A 4 10.512 -5.964 9.240 1.00 0.00 O ATOM 0 H GLY A 4 11.576 -7.602 8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 4 12.236 -7.359 11.033 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.515 -6.763 9.994 1.00 0.00 H new ATOM 52 N THR A 5 12.213 -4.575 10.006 1.00 0.00 N ATOM 53 CA THR A 5 11.371 -3.405 9.682 1.00 0.00 C ATOM 54 C THR A 5 11.870 -2.950 8.317 1.00 0.00 C ATOM 55 O THR A 5 12.942 -3.419 7.926 1.00 0.00 O ATOM 56 CB THR A 5 11.718 -2.246 10.621 1.00 0.00 C ATOM 57 OG1 THR A 5 13.082 -2.080 10.815 1.00 0.00 O ATOM 58 CG2 THR A 5 10.970 -2.406 11.954 1.00 0.00 C ATOM 0 H THR A 5 13.138 -4.413 10.403 1.00 0.00 H new ATOM 0 HA THR A 5 10.311 -3.654 9.742 1.00 0.00 H new ATOM 0 HB THR A 5 11.385 -1.330 10.134 1.00 0.00 H new ATOM 0 HG1 THR A 5 13.348 -1.184 10.520 1.00 0.00 H new ATOM 0 HG21 THR A 5 11.223 -1.577 12.615 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.896 -2.408 11.770 1.00 0.00 H new ATOM 0 HG23 THR A 5 11.260 -3.346 12.423 1.00 0.00 H new ATOM 66 N TRP A 6 11.109 -2.079 7.636 1.00 0.00 N ATOM 67 CA TRP A 6 11.443 -1.564 6.348 1.00 0.00 C ATOM 68 C TRP A 6 11.070 -0.089 6.205 1.00 0.00 C ATOM 69 O TRP A 6 10.378 0.322 7.127 1.00 0.00 O ATOM 70 CB TRP A 6 10.598 -2.185 5.192 1.00 0.00 C ATOM 71 CG TRP A 6 10.757 -3.624 4.965 1.00 0.00 C ATOM 72 CD1 TRP A 6 10.731 -4.671 5.901 1.00 0.00 C ATOM 73 CD2 TRP A 6 10.984 -4.355 3.728 1.00 0.00 C ATOM 74 NE1 TRP A 6 10.909 -5.815 5.311 1.00 0.00 N ATOM 75 CE2 TRP A 6 11.082 -5.746 3.951 1.00 0.00 C ATOM 76 CE3 TRP A 6 11.122 -3.954 2.420 1.00 0.00 C ATOM 77 CZ2 TRP A 6 11.295 -6.635 2.973 1.00 0.00 C ATOM 78 CZ3 TRP A 6 11.346 -4.853 1.380 1.00 0.00 C ATOM 79 CH2 TRP A 6 11.429 -6.181 1.671 1.00 0.00 C ATOM 0 H TRP A 6 10.226 -1.719 7.997 1.00 0.00 H new ATOM 0 HA TRP A 6 12.509 -1.780 6.276 1.00 0.00 H new ATOM 0 HB2 TRP A 6 9.546 -1.986 5.394 1.00 0.00 H new ATOM 0 HB3 TRP A 6 10.849 -1.664 4.268 1.00 0.00 H new ATOM 0 HD1 TRP A 6 10.584 -4.543 6.963 1.00 0.00 H new ATOM 0 HE1 TRP A 6 10.919 -6.699 5.821 1.00 0.00 H new ATOM 0 HE3 TRP A 6 11.054 -2.901 2.190 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 11.361 -7.690 3.196 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 11.452 -4.504 0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 6 11.602 -6.890 0.875 1.00 0.00 H new ATOM 90 N LYS A 7 11.488 0.609 5.148 1.00 0.00 N ATOM 91 CA LYS A 7 11.123 1.975 5.001 1.00 0.00 C ATOM 92 C LYS A 7 11.369 2.932 6.179 1.00 0.00 C ATOM 93 O LYS A 7 11.829 2.523 7.218 1.00 0.00 O ATOM 94 CB LYS A 7 9.570 2.039 4.768 1.00 0.00 C ATOM 95 CG LYS A 7 9.421 1.298 3.478 1.00 0.00 C ATOM 96 CD LYS A 7 8.304 1.968 2.619 1.00 0.00 C ATOM 97 CE LYS A 7 7.131 2.543 3.395 1.00 0.00 C ATOM 98 NZ LYS A 7 5.870 1.799 3.212 1.00 0.00 N ATOM 0 H LYS A 7 12.073 0.235 4.401 1.00 0.00 H new ATOM 0 HA LYS A 7 11.767 2.311 4.188 1.00 0.00 H new ATOM 0 HB2 LYS A 7 9.016 1.565 5.578 1.00 0.00 H new ATOM 0 HB3 LYS A 7 9.210 3.065 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 7 10.365 1.302 2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 7 9.169 0.255 3.672 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.754 2.768 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.922 1.230 1.913 1.00 0.00 H new ATOM 0 HE2 LYS A 7 7.382 2.558 4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.978 3.578 3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.361 1.751 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 5.279 2.286 2.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 6.080 0.836 2.881 1.00 0.00 H new ATOM 112 N VAL A 8 10.958 4.123 5.755 1.00 0.00 N ATOM 113 CA VAL A 8 10.886 5.339 6.526 1.00 0.00 C ATOM 114 C VAL A 8 11.727 5.507 7.741 1.00 0.00 C ATOM 115 O VAL A 8 12.146 4.780 8.604 1.00 0.00 O ATOM 116 CB VAL A 8 9.371 5.320 6.925 1.00 0.00 C ATOM 117 CG1 VAL A 8 9.212 5.077 8.413 1.00 0.00 C ATOM 118 CG2 VAL A 8 8.593 6.601 6.700 1.00 0.00 C ATOM 0 H VAL A 8 10.646 4.263 4.794 1.00 0.00 H new ATOM 0 HA VAL A 8 11.276 6.164 5.930 1.00 0.00 H new ATOM 0 HB VAL A 8 8.979 4.537 6.275 1.00 0.00 H new ATOM 0 HG11 VAL A 8 8.153 5.068 8.669 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.657 4.117 8.674 1.00 0.00 H new ATOM 0 HG13 VAL A 8 9.712 5.872 8.967 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.559 6.459 7.015 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.042 7.406 7.281 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.617 6.860 5.642 1.00 0.00 H new ATOM 300 N LEU A 21 4.228 6.044 6.961 1.00 0.00 N ATOM 301 CA LEU A 21 4.072 4.664 6.535 1.00 0.00 C ATOM 302 C LEU A 21 5.376 4.001 7.053 1.00 0.00 C ATOM 303 O LEU A 21 6.100 4.678 7.753 1.00 0.00 O ATOM 304 CB LEU A 21 3.981 4.475 5.028 1.00 0.00 C ATOM 305 CG LEU A 21 4.255 5.719 4.206 1.00 0.00 C ATOM 306 CD1 LEU A 21 5.027 5.449 2.900 1.00 0.00 C ATOM 307 CD2 LEU A 21 2.951 6.432 3.754 1.00 0.00 C ATOM 0 HA LEU A 21 3.140 4.246 6.916 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.687 3.700 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.984 4.109 4.783 1.00 0.00 H new ATOM 0 HG LEU A 21 4.847 6.331 4.886 1.00 0.00 H new ATOM 0 HD11 LEU A 21 5.184 6.388 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 21 5.992 4.999 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 21 4.452 4.769 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.204 7.316 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.357 5.751 3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.376 6.729 4.631 1.00 0.00 H new ATOM 319 N LYS A 22 5.503 2.751 6.639 1.00 0.00 N ATOM 320 CA LYS A 22 6.578 1.849 6.922 1.00 0.00 C ATOM 321 C LYS A 22 6.079 0.470 6.374 1.00 0.00 C ATOM 322 O LYS A 22 4.909 0.328 6.098 1.00 0.00 O ATOM 323 CB LYS A 22 6.745 1.465 8.418 1.00 0.00 C ATOM 324 CG LYS A 22 5.623 1.888 9.373 1.00 0.00 C ATOM 325 CD LYS A 22 6.075 2.404 10.722 1.00 0.00 C ATOM 326 CE LYS A 22 7.358 1.774 11.309 1.00 0.00 C ATOM 327 NZ LYS A 22 7.676 2.216 12.652 1.00 0.00 N ATOM 0 H LYS A 22 4.792 2.318 6.049 1.00 0.00 H new ATOM 0 HA LYS A 22 7.482 2.317 6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.853 0.382 8.480 1.00 0.00 H new ATOM 0 HB3 LYS A 22 7.678 1.899 8.777 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.029 2.663 8.888 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.964 1.034 9.532 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.230 3.480 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.264 2.252 11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.248 0.690 11.312 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.197 2.008 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.548 1.749 12.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.814 3.247 12.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.895 1.969 13.293 1.00 0.00 H new ATOM 341 N LEU A 23 7.136 -0.309 6.332 1.00 0.00 N ATOM 342 CA LEU A 23 6.955 -1.687 5.876 1.00 0.00 C ATOM 343 C LEU A 23 7.739 -2.375 7.033 1.00 0.00 C ATOM 344 O LEU A 23 8.606 -1.606 7.468 1.00 0.00 O ATOM 345 CB LEU A 23 7.371 -1.965 4.484 1.00 0.00 C ATOM 346 CG LEU A 23 6.285 -2.055 3.371 1.00 0.00 C ATOM 347 CD1 LEU A 23 7.013 -2.132 2.007 1.00 0.00 C ATOM 348 CD2 LEU A 23 5.396 -3.270 3.378 1.00 0.00 C ATOM 0 H LEU A 23 8.086 -0.042 6.591 1.00 0.00 H new ATOM 0 HA LEU A 23 5.931 -2.039 5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.078 -1.188 4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.917 -2.908 4.487 1.00 0.00 H new ATOM 0 HG LEU A 23 5.655 -1.183 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.277 -2.196 1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.623 -1.239 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.652 -3.015 1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.687 -3.207 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.005 -4.167 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.852 -3.317 4.321 1.00 0.00 H new ATOM 360 N THR A 24 7.410 -3.582 7.383 1.00 0.00 N ATOM 361 CA THR A 24 8.140 -4.237 8.491 1.00 0.00 C ATOM 362 C THR A 24 7.457 -5.592 8.640 1.00 0.00 C ATOM 363 O THR A 24 6.731 -5.956 9.542 1.00 0.00 O ATOM 364 CB THR A 24 7.943 -3.411 9.749 1.00 0.00 C ATOM 365 OG1 THR A 24 8.708 -2.224 9.865 1.00 0.00 O ATOM 366 CG2 THR A 24 8.087 -4.144 11.087 1.00 0.00 C ATOM 0 H THR A 24 6.672 -4.139 6.952 1.00 0.00 H new ATOM 0 HA THR A 24 9.211 -4.335 8.313 1.00 0.00 H new ATOM 0 HB THR A 24 6.897 -3.158 9.576 1.00 0.00 H new ATOM 0 HG1 THR A 24 8.572 -1.668 9.069 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.923 -3.443 11.905 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.351 -4.946 11.143 1.00 0.00 H new ATOM 0 HG23 THR A 24 9.089 -4.565 11.165 1.00 0.00 H new ATOM 374 N ILE A 25 7.764 -6.362 7.619 1.00 0.00 N ATOM 375 CA ILE A 25 7.162 -7.679 7.680 1.00 0.00 C ATOM 376 C ILE A 25 8.065 -8.601 8.497 1.00 0.00 C ATOM 377 O ILE A 25 9.238 -8.267 8.581 1.00 0.00 O ATOM 378 CB ILE A 25 7.027 -8.088 6.212 1.00 0.00 C ATOM 379 CG1 ILE A 25 6.458 -7.051 5.242 1.00 0.00 C ATOM 380 CG2 ILE A 25 6.173 -9.383 6.171 1.00 0.00 C ATOM 381 CD1 ILE A 25 7.515 -6.361 4.373 1.00 0.00 C ATOM 0 H ILE A 25 8.358 -6.140 6.820 1.00 0.00 H new ATOM 0 HA ILE A 25 6.191 -7.719 8.174 1.00 0.00 H new ATOM 0 HB ILE A 25 8.045 -8.223 5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 25 5.730 -7.538 4.592 1.00 0.00 H new ATOM 0 HG13 ILE A 25 5.920 -6.293 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.054 -9.708 5.137 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.672 -10.166 6.742 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.193 -9.186 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.030 -5.641 3.714 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.230 -5.843 5.012 1.00 0.00 H new ATOM 0 HD13 ILE A 25 8.037 -7.107 3.774 1.00 0.00 H new ATOM 393 N THR A 26 7.482 -9.661 9.022 1.00 0.00 N ATOM 394 CA THR A 26 8.348 -10.520 9.786 1.00 0.00 C ATOM 395 C THR A 26 7.477 -11.757 10.122 1.00 0.00 C ATOM 396 O THR A 26 7.002 -11.889 11.229 1.00 0.00 O ATOM 397 CB THR A 26 8.814 -9.977 11.130 1.00 0.00 C ATOM 398 OG1 THR A 26 9.397 -8.699 11.126 1.00 0.00 O ATOM 399 CG2 THR A 26 9.807 -10.994 11.708 1.00 0.00 C ATOM 0 H THR A 26 6.501 -9.929 8.944 1.00 0.00 H new ATOM 0 HA THR A 26 9.246 -10.683 9.190 1.00 0.00 H new ATOM 0 HB THR A 26 7.916 -9.847 11.734 1.00 0.00 H new ATOM 0 HG1 THR A 26 9.761 -8.508 10.236 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.167 -10.642 12.675 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.311 -11.956 11.834 1.00 0.00 H new ATOM 0 HG23 THR A 26 10.650 -11.107 11.026 1.00 0.00 H new ATOM 407 N GLN A 27 7.419 -12.514 9.010 1.00 0.00 N ATOM 408 CA GLN A 27 6.650 -13.739 9.089 1.00 0.00 C ATOM 409 C GLN A 27 6.956 -14.526 10.360 1.00 0.00 C ATOM 410 O GLN A 27 8.082 -14.536 10.841 1.00 0.00 O ATOM 411 CB GLN A 27 6.962 -14.566 7.835 1.00 0.00 C ATOM 412 CG GLN A 27 8.294 -15.300 7.910 1.00 0.00 C ATOM 413 CD GLN A 27 9.102 -15.296 6.624 1.00 0.00 C ATOM 414 OE1 GLN A 27 9.319 -14.017 6.267 1.00 0.00 O flip ATOM 415 NE2 GLN A 27 9.438 -16.338 6.089 1.00 0.00 N flip ATOM 0 H GLN A 27 7.864 -12.310 8.115 1.00 0.00 H new ATOM 0 HA GLN A 27 5.587 -13.501 9.133 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.164 -15.292 7.680 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.967 -13.907 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.895 -14.851 8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.106 -16.334 8.200 1.00 0.00 H new ATOM 0 HE21 GLN A 27 9.181 -17.232 6.508 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.976 -16.316 5.223 1.00 0.00 H new ATOM 424 N GLU A 28 5.890 -15.183 10.884 1.00 0.00 N ATOM 425 CA GLU A 28 6.039 -15.987 12.115 1.00 0.00 C ATOM 426 C GLU A 28 6.024 -17.428 11.608 1.00 0.00 C ATOM 427 O GLU A 28 6.269 -18.329 12.412 1.00 0.00 O ATOM 428 CB GLU A 28 4.820 -15.581 12.938 1.00 0.00 C ATOM 429 CG GLU A 28 4.238 -16.648 13.875 1.00 0.00 C ATOM 430 CD GLU A 28 2.998 -17.300 13.273 1.00 0.00 C ATOM 431 OE1 GLU A 28 3.091 -17.770 12.144 1.00 0.00 O ATOM 432 OE2 GLU A 28 1.982 -17.304 13.975 1.00 0.00 O ATOM 0 H GLU A 28 4.951 -15.172 10.487 1.00 0.00 H new ATOM 0 HA GLU A 28 6.931 -15.856 12.728 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.088 -14.711 13.537 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.035 -15.266 12.251 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.992 -17.410 14.074 1.00 0.00 H new ATOM 0 HG3 GLU A 28 3.984 -16.194 14.833 1.00 0.00 H new ATOM 439 N GLY A 29 5.734 -17.569 10.309 1.00 0.00 N ATOM 440 CA GLY A 29 5.719 -18.946 9.825 1.00 0.00 C ATOM 441 C GLY A 29 4.270 -19.117 9.284 1.00 0.00 C ATOM 442 O GLY A 29 3.552 -19.917 9.822 1.00 0.00 O ATOM 0 H GLY A 29 5.527 -16.830 9.637 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.462 -19.106 9.044 1.00 0.00 H new ATOM 0 HA3 GLY A 29 5.937 -19.656 10.623 1.00 0.00 H new ATOM 446 N ASN A 30 4.069 -18.279 8.239 1.00 0.00 N ATOM 447 CA ASN A 30 2.878 -18.149 7.489 1.00 0.00 C ATOM 448 C ASN A 30 2.127 -16.851 7.840 1.00 0.00 C ATOM 449 O ASN A 30 1.321 -16.470 6.980 1.00 0.00 O ATOM 450 CB ASN A 30 1.843 -19.292 7.616 1.00 0.00 C ATOM 451 CG ASN A 30 1.011 -19.337 8.845 1.00 0.00 C ATOM 452 OD1 ASN A 30 0.992 -18.500 9.739 1.00 0.00 O ATOM 453 ND2 ASN A 30 0.224 -20.436 8.936 1.00 0.00 N ATOM 0 H ASN A 30 4.803 -17.654 7.907 1.00 0.00 H new ATOM 0 HA ASN A 30 3.259 -18.164 6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 30 1.172 -19.234 6.759 1.00 0.00 H new ATOM 0 HB3 ASN A 30 2.378 -20.239 7.538 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.381 -20.564 9.747 1.00 0.00 H new ATOM 0 HD22 ASN A 30 0.237 -21.135 8.194 1.00 0.00 H new ATOM 460 N LYS A 31 2.417 -16.311 8.995 1.00 0.00 N ATOM 461 CA LYS A 31 1.672 -15.094 9.289 1.00 0.00 C ATOM 462 C LYS A 31 2.473 -14.013 8.576 1.00 0.00 C ATOM 463 O LYS A 31 3.285 -13.426 9.280 1.00 0.00 O ATOM 464 CB LYS A 31 1.417 -14.877 10.762 1.00 0.00 C ATOM 465 CG LYS A 31 0.265 -15.844 11.091 1.00 0.00 C ATOM 466 CD LYS A 31 -0.800 -15.138 11.903 1.00 0.00 C ATOM 467 CE LYS A 31 -1.834 -16.160 12.327 1.00 0.00 C ATOM 468 NZ LYS A 31 -1.400 -16.999 13.465 1.00 0.00 N ATOM 0 H LYS A 31 3.088 -16.641 9.689 1.00 0.00 H new ATOM 0 HA LYS A 31 0.644 -15.116 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.304 -15.097 11.357 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.141 -13.843 10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -0.168 -16.231 10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 31 0.648 -16.700 11.647 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -0.357 -14.662 12.778 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.266 -14.349 11.313 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -2.755 -15.643 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.067 -16.804 11.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.188 -17.605 13.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -0.599 -17.594 13.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -1.108 -16.389 14.255 1.00 0.00 H new ATOM 482 N PHE A 32 2.225 -13.815 7.299 1.00 0.00 N ATOM 483 CA PHE A 32 3.053 -12.760 6.737 1.00 0.00 C ATOM 484 C PHE A 32 2.047 -11.598 7.002 1.00 0.00 C ATOM 485 O PHE A 32 0.935 -11.783 6.621 1.00 0.00 O ATOM 486 CB PHE A 32 3.363 -12.895 5.270 1.00 0.00 C ATOM 487 CG PHE A 32 4.555 -13.800 5.087 1.00 0.00 C ATOM 488 CD1 PHE A 32 4.589 -15.146 5.292 1.00 0.00 C ATOM 489 CD2 PHE A 32 5.736 -13.207 4.669 1.00 0.00 C ATOM 490 CE1 PHE A 32 5.758 -15.854 5.081 1.00 0.00 C ATOM 491 CE2 PHE A 32 6.834 -14.011 4.488 1.00 0.00 C ATOM 492 CZ PHE A 32 6.892 -15.198 4.656 1.00 0.00 C ATOM 0 H PHE A 32 1.555 -14.292 6.695 1.00 0.00 H new ATOM 0 HA PHE A 32 4.058 -12.690 7.154 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.501 -13.301 4.741 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.568 -11.915 4.839 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.699 -15.663 5.621 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.791 -12.143 4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 32 5.782 -16.921 5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 32 7.741 -13.524 4.160 1.00 0.00 H new ATOM 0 HZ PHE A 32 7.810 -15.738 4.478 1.00 0.00 H new ATOM 502 N THR A 33 2.684 -10.628 7.613 1.00 0.00 N ATOM 503 CA THR A 33 1.791 -9.481 7.908 1.00 0.00 C ATOM 504 C THR A 33 2.709 -8.382 7.404 1.00 0.00 C ATOM 505 O THR A 33 3.768 -8.172 7.986 1.00 0.00 O ATOM 506 CB THR A 33 1.415 -9.560 9.339 1.00 0.00 C ATOM 507 OG1 THR A 33 -0.010 -9.474 9.489 1.00 0.00 O ATOM 508 CG2 THR A 33 1.930 -8.346 10.088 1.00 0.00 C ATOM 0 H THR A 33 3.664 -10.578 7.891 1.00 0.00 H new ATOM 0 HA THR A 33 0.804 -9.375 7.458 1.00 0.00 H new ATOM 0 HB THR A 33 1.825 -10.497 9.716 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.243 -9.529 10.439 1.00 0.00 H new ATOM 0 HG21 THR A 33 1.646 -8.419 11.138 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.016 -8.303 10.008 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.499 -7.443 9.657 1.00 0.00 H new ATOM 516 N VAL A 34 2.197 -7.794 6.356 1.00 0.00 N ATOM 517 CA VAL A 34 3.118 -6.726 5.882 1.00 0.00 C ATOM 518 C VAL A 34 2.733 -5.558 6.720 1.00 0.00 C ATOM 519 O VAL A 34 1.624 -5.437 7.214 1.00 0.00 O ATOM 520 CB VAL A 34 2.693 -6.746 4.429 1.00 0.00 C ATOM 521 CG1 VAL A 34 3.477 -5.998 3.368 1.00 0.00 C ATOM 522 CG2 VAL A 34 2.719 -8.187 3.858 1.00 0.00 C ATOM 0 H VAL A 34 1.318 -7.966 5.868 1.00 0.00 H new ATOM 0 HA VAL A 34 4.204 -6.776 5.955 1.00 0.00 H new ATOM 0 HB VAL A 34 1.732 -6.247 4.557 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.004 -6.143 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.493 -4.935 3.609 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.498 -6.378 3.335 1.00 0.00 H new ATOM 0 HG21 VAL A 34 2.409 -8.170 2.813 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.730 -8.589 3.930 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.036 -8.817 4.429 1.00 0.00 H new ATOM 532 N LYS A 35 3.755 -4.684 6.851 1.00 0.00 N ATOM 533 CA LYS A 35 3.558 -3.502 7.620 1.00 0.00 C ATOM 534 C LYS A 35 3.016 -2.261 6.931 1.00 0.00 C ATOM 535 O LYS A 35 3.068 -1.148 7.368 1.00 0.00 O ATOM 536 CB LYS A 35 4.798 -3.101 8.469 1.00 0.00 C ATOM 537 CG LYS A 35 4.474 -2.013 9.527 1.00 0.00 C ATOM 538 CD LYS A 35 5.185 -2.104 10.843 1.00 0.00 C ATOM 539 CE LYS A 35 4.279 -1.876 12.050 1.00 0.00 C ATOM 540 NZ LYS A 35 4.367 -0.473 12.475 1.00 0.00 N ATOM 0 H LYS A 35 4.682 -4.794 6.439 1.00 0.00 H new ATOM 0 HA LYS A 35 2.740 -3.847 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 35 5.190 -3.985 8.972 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.583 -2.736 7.807 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.696 -1.040 9.090 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.402 -2.038 9.720 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.647 -3.087 10.928 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.991 -1.370 10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.249 -2.126 11.796 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.574 -2.533 12.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.749 -0.320 13.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.349 -0.250 12.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.065 0.146 11.695 1.00 0.00 H new ATOM 554 N GLU A 36 2.456 -2.609 5.730 1.00 0.00 N ATOM 555 CA GLU A 36 1.850 -1.685 4.825 1.00 0.00 C ATOM 556 C GLU A 36 0.955 -0.723 5.652 1.00 0.00 C ATOM 557 O GLU A 36 -0.211 -1.047 5.869 1.00 0.00 O ATOM 558 CB GLU A 36 0.817 -2.469 3.993 1.00 0.00 C ATOM 559 CG GLU A 36 1.484 -3.151 2.774 1.00 0.00 C ATOM 560 CD GLU A 36 0.380 -3.841 1.933 1.00 0.00 C ATOM 561 OE1 GLU A 36 -0.113 -4.881 2.332 1.00 0.00 O ATOM 562 OE2 GLU A 36 0.035 -3.309 0.877 1.00 0.00 O ATOM 0 H GLU A 36 2.433 -3.572 5.394 1.00 0.00 H new ATOM 0 HA GLU A 36 2.620 -1.183 4.239 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.339 -3.223 4.618 1.00 0.00 H new ATOM 0 HB3 GLU A 36 0.033 -1.794 3.651 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.015 -2.414 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.221 -3.883 3.105 1.00 0.00 H new ATOM 569 N SER A 37 1.545 0.400 6.073 1.00 0.00 N ATOM 570 CA SER A 37 0.745 1.322 6.860 1.00 0.00 C ATOM 571 C SER A 37 0.216 2.480 6.063 1.00 0.00 C ATOM 572 O SER A 37 0.934 2.978 5.214 1.00 0.00 O ATOM 573 CB SER A 37 1.696 1.788 7.967 1.00 0.00 C ATOM 574 OG SER A 37 1.930 0.730 8.876 1.00 0.00 O ATOM 0 H SER A 37 2.511 0.675 5.894 1.00 0.00 H new ATOM 0 HA SER A 37 -0.154 0.839 7.244 1.00 0.00 H new ATOM 0 HB2 SER A 37 2.639 2.121 7.533 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.267 2.642 8.492 1.00 0.00 H new ATOM 0 HG SER A 37 2.437 0.020 8.429 1.00 0.00 H new ATOM 580 N SER A 38 -1.041 2.837 6.410 1.00 0.00 N ATOM 581 CA SER A 38 -1.578 3.961 5.657 1.00 0.00 C ATOM 582 C SER A 38 -1.856 5.121 6.585 1.00 0.00 C ATOM 583 O SER A 38 -1.197 5.289 7.623 1.00 0.00 O ATOM 584 CB SER A 38 -2.863 3.403 5.009 1.00 0.00 C ATOM 585 OG SER A 38 -3.058 3.849 3.700 1.00 0.00 O ATOM 0 H SER A 38 -1.635 2.414 7.123 1.00 0.00 H new ATOM 0 HA SER A 38 -0.892 4.349 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.820 2.314 5.012 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.722 3.690 5.615 1.00 0.00 H new ATOM 0 HG SER A 38 -3.884 3.462 3.342 1.00 0.00 H new ATOM 591 N ASN A 39 -2.845 5.956 6.224 1.00 0.00 N ATOM 592 CA ASN A 39 -3.181 7.109 7.071 1.00 0.00 C ATOM 593 C ASN A 39 -4.555 6.844 7.681 1.00 0.00 C ATOM 594 O ASN A 39 -5.303 7.750 7.957 1.00 0.00 O ATOM 595 CB ASN A 39 -3.246 8.365 6.226 1.00 0.00 C ATOM 596 CG ASN A 39 -1.864 8.661 5.609 1.00 0.00 C ATOM 597 OD1 ASN A 39 -1.689 8.697 4.403 1.00 0.00 O ATOM 598 ND2 ASN A 39 -0.898 8.873 6.534 1.00 0.00 N ATOM 0 H ASN A 39 -3.409 5.859 5.379 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.427 7.245 7.846 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.987 8.243 5.436 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -3.568 9.208 6.838 1.00 0.00 H new ATOM 0 HD21 ASN A 39 0.056 9.080 6.237 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -1.124 8.826 7.528 1.00 0.00 H new ATOM 605 N PHE A 40 -4.706 5.514 7.820 1.00 0.00 N ATOM 606 CA PHE A 40 -5.962 5.069 8.385 1.00 0.00 C ATOM 607 C PHE A 40 -5.739 4.487 9.804 1.00 0.00 C ATOM 608 O PHE A 40 -6.027 5.181 10.754 1.00 0.00 O ATOM 609 CB PHE A 40 -6.709 4.065 7.501 1.00 0.00 C ATOM 610 CG PHE A 40 -6.940 4.633 6.134 1.00 0.00 C ATOM 611 CD1 PHE A 40 -7.331 5.952 6.032 1.00 0.00 C ATOM 612 CD2 PHE A 40 -6.798 3.936 4.975 1.00 0.00 C ATOM 613 CE1 PHE A 40 -7.550 6.496 4.766 1.00 0.00 C ATOM 614 CE2 PHE A 40 -7.031 4.563 3.772 1.00 0.00 C ATOM 615 CZ PHE A 40 -7.368 5.707 3.658 1.00 0.00 C ATOM 0 H PHE A 40 -4.029 4.793 7.569 1.00 0.00 H new ATOM 0 HA PHE A 40 -6.600 5.950 8.448 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -6.134 3.142 7.424 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -7.664 3.809 7.960 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -7.466 6.554 6.918 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -6.504 2.897 4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -7.859 7.525 4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -6.901 3.984 2.869 1.00 0.00 H new ATOM 0 HZ PHE A 40 -7.530 6.121 2.674 1.00 0.00 H new ATOM 625 N ARG A 41 -5.248 3.258 9.845 1.00 0.00 N ATOM 626 CA ARG A 41 -4.979 2.561 11.057 1.00 0.00 C ATOM 627 C ARG A 41 -3.678 1.784 11.000 1.00 0.00 C ATOM 628 O ARG A 41 -3.469 1.023 11.957 1.00 0.00 O ATOM 629 CB ARG A 41 -6.059 1.470 11.279 1.00 0.00 C ATOM 630 CG ARG A 41 -7.477 1.935 11.481 1.00 0.00 C ATOM 631 CD ARG A 41 -8.210 2.329 10.170 1.00 0.00 C ATOM 632 NE ARG A 41 -9.368 3.087 10.622 1.00 0.00 N ATOM 633 CZ ARG A 41 -10.378 3.423 9.788 1.00 0.00 C ATOM 634 NH1 ARG A 41 -10.358 3.071 8.500 1.00 0.00 N ATOM 635 NH2 ARG A 41 -11.446 4.116 10.173 1.00 0.00 N ATOM 0 H ARG A 41 -5.026 2.720 9.007 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.950 3.321 11.838 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.043 0.799 10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.770 0.881 12.149 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.040 1.143 11.975 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -7.474 2.792 12.154 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.571 2.928 9.521 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.508 1.449 9.600 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.419 3.374 11.599 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.571 2.539 8.129 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.130 3.334 7.887 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -11.533 4.422 11.142 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -12.178 4.341 9.499 1.00 0.00 H new ATOM 649 N ASN A 42 -2.890 1.985 9.942 1.00 0.00 N ATOM 650 CA ASN A 42 -1.656 1.253 9.864 1.00 0.00 C ATOM 651 C ASN A 42 -2.089 -0.181 9.471 1.00 0.00 C ATOM 652 O ASN A 42 -1.330 -1.114 9.662 1.00 0.00 O ATOM 653 CB ASN A 42 -0.840 1.181 11.141 1.00 0.00 C ATOM 654 CG ASN A 42 -0.848 2.498 11.897 1.00 0.00 C ATOM 655 OD1 ASN A 42 -0.974 3.587 11.377 1.00 0.00 O ATOM 656 ND2 ASN A 42 -0.702 2.282 13.236 1.00 0.00 N ATOM 0 H ASN A 42 -3.083 2.621 9.168 1.00 0.00 H new ATOM 0 HA ASN A 42 -0.998 1.762 9.160 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -1.237 0.393 11.781 1.00 0.00 H new ATOM 0 HB3 ASN A 42 0.187 0.908 10.900 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -0.693 3.071 13.882 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -0.602 1.331 13.591 1.00 0.00 H new ATOM 663 N ILE A 43 -3.305 -0.117 8.963 1.00 0.00 N ATOM 664 CA ILE A 43 -4.013 -1.294 8.477 1.00 0.00 C ATOM 665 C ILE A 43 -3.046 -2.255 7.831 1.00 0.00 C ATOM 666 O ILE A 43 -2.515 -2.254 6.733 1.00 0.00 O ATOM 667 CB ILE A 43 -4.948 -0.680 7.412 1.00 0.00 C ATOM 668 CG1 ILE A 43 -5.747 -1.652 6.583 1.00 0.00 C ATOM 669 CG2 ILE A 43 -4.029 0.053 6.394 1.00 0.00 C ATOM 670 CD1 ILE A 43 -6.796 -0.946 5.684 1.00 0.00 C ATOM 0 H ILE A 43 -3.833 0.751 8.874 1.00 0.00 H new ATOM 0 HA ILE A 43 -4.530 -1.857 9.254 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.661 -0.068 7.964 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.070 -2.233 5.957 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -6.254 -2.356 7.243 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.640 0.508 5.615 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -3.461 0.828 6.909 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -3.341 -0.663 5.944 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -7.343 -1.693 5.108 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.493 -0.387 6.308 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.290 -0.262 5.003 1.00 0.00 H new ATOM 682 N ASP A 44 -2.766 -3.273 8.694 1.00 0.00 N ATOM 683 CA ASP A 44 -1.874 -4.348 8.370 1.00 0.00 C ATOM 684 C ASP A 44 -2.721 -5.393 7.651 1.00 0.00 C ATOM 685 O ASP A 44 -3.880 -5.573 7.993 1.00 0.00 O ATOM 686 CB ASP A 44 -1.238 -5.040 9.585 1.00 0.00 C ATOM 687 CG ASP A 44 -1.609 -4.464 10.931 1.00 0.00 C ATOM 688 OD1 ASP A 44 -2.803 -4.193 11.099 1.00 0.00 O ATOM 689 OD2 ASP A 44 -0.815 -4.252 11.849 1.00 0.00 O ATOM 0 H ASP A 44 -3.170 -3.341 9.628 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.054 -3.933 7.784 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -1.520 -6.093 9.570 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.154 -4.999 9.478 1.00 0.00 H new ATOM 694 N VAL A 45 -2.025 -5.992 6.703 1.00 0.00 N ATOM 695 CA VAL A 45 -2.735 -7.019 5.948 1.00 0.00 C ATOM 696 C VAL A 45 -2.244 -8.300 6.644 1.00 0.00 C ATOM 697 O VAL A 45 -1.056 -8.482 6.784 1.00 0.00 O ATOM 698 CB VAL A 45 -2.400 -6.918 4.481 1.00 0.00 C ATOM 699 CG1 VAL A 45 -2.324 -8.299 3.785 1.00 0.00 C ATOM 700 CG2 VAL A 45 -3.511 -6.230 3.681 1.00 0.00 C ATOM 0 H VAL A 45 -1.054 -5.812 6.448 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.823 -6.954 5.951 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.452 -6.380 4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.080 -8.163 2.732 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.553 -8.904 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.286 -8.804 3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.225 -6.180 2.630 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.436 -6.799 3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.664 -5.221 4.064 1.00 0.00 H new ATOM 710 N VAL A 46 -3.199 -9.153 7.060 1.00 0.00 N ATOM 711 CA VAL A 46 -2.733 -10.352 7.709 1.00 0.00 C ATOM 712 C VAL A 46 -3.513 -11.597 7.291 1.00 0.00 C ATOM 713 O VAL A 46 -4.610 -11.396 6.811 1.00 0.00 O ATOM 714 CB VAL A 46 -3.134 -10.126 9.173 1.00 0.00 C ATOM 715 CG1 VAL A 46 -4.630 -10.019 9.389 1.00 0.00 C ATOM 716 CG2 VAL A 46 -2.750 -11.267 10.154 1.00 0.00 C ATOM 0 H VAL A 46 -4.208 -9.038 6.963 1.00 0.00 H new ATOM 0 HA VAL A 46 -1.678 -10.510 7.488 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.590 -9.204 9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.834 -9.860 10.448 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.022 -9.180 8.814 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.112 -10.940 9.061 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.078 -11.007 11.160 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.233 -12.193 9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.668 -11.403 10.149 1.00 0.00 H new ATOM 726 N PHE A 47 -2.785 -12.679 7.552 1.00 0.00 N ATOM 727 CA PHE A 47 -3.417 -13.902 7.202 1.00 0.00 C ATOM 728 C PHE A 47 -2.445 -15.079 7.314 1.00 0.00 C ATOM 729 O PHE A 47 -1.387 -14.806 7.898 1.00 0.00 O ATOM 730 CB PHE A 47 -3.759 -13.900 5.684 1.00 0.00 C ATOM 731 CG PHE A 47 -2.651 -13.146 4.958 1.00 0.00 C ATOM 732 CD1 PHE A 47 -1.342 -13.490 5.048 1.00 0.00 C ATOM 733 CD2 PHE A 47 -2.995 -12.068 4.167 1.00 0.00 C ATOM 734 CE1 PHE A 47 -0.402 -12.762 4.363 1.00 0.00 C ATOM 735 CE2 PHE A 47 -2.009 -11.386 3.508 1.00 0.00 C ATOM 736 CZ PHE A 47 -0.698 -11.812 3.668 1.00 0.00 C ATOM 0 H PHE A 47 -1.852 -12.722 7.963 1.00 0.00 H new ATOM 0 HA PHE A 47 -4.281 -13.996 7.861 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.836 -14.920 5.308 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -4.723 -13.423 5.510 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.042 -14.331 5.655 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.028 -11.767 4.070 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.637 -13.044 4.445 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -2.244 -10.539 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 47 0.088 -11.278 3.155 1.00 0.00 H new ATOM 746 N GLU A 48 -2.803 -16.260 6.799 1.00 0.00 N ATOM 747 CA GLU A 48 -1.850 -17.304 6.938 1.00 0.00 C ATOM 748 C GLU A 48 -1.494 -17.893 5.546 1.00 0.00 C ATOM 749 O GLU A 48 -1.981 -18.967 5.235 1.00 0.00 O ATOM 750 CB GLU A 48 -2.524 -18.433 7.748 1.00 0.00 C ATOM 751 CG GLU A 48 -2.571 -18.211 9.246 1.00 0.00 C ATOM 752 CD GLU A 48 -3.296 -19.302 10.036 1.00 0.00 C ATOM 753 OE1 GLU A 48 -4.539 -19.298 10.021 1.00 0.00 O ATOM 754 OE2 GLU A 48 -2.709 -20.166 10.678 1.00 0.00 O ATOM 0 H GLU A 48 -3.677 -16.484 6.324 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.951 -16.920 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.543 -18.562 7.383 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.995 -19.366 7.551 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.550 -18.130 9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.058 -17.256 9.442 1.00 0.00 H new ATOM 761 N LEU A 49 -0.674 -17.085 4.907 1.00 0.00 N ATOM 762 CA LEU A 49 -0.125 -17.319 3.576 1.00 0.00 C ATOM 763 C LEU A 49 -1.064 -17.934 2.581 1.00 0.00 C ATOM 764 O LEU A 49 -1.665 -17.301 1.725 1.00 0.00 O ATOM 765 CB LEU A 49 1.144 -18.152 3.880 1.00 0.00 C ATOM 766 CG LEU A 49 2.113 -18.304 2.736 1.00 0.00 C ATOM 767 CD1 LEU A 49 1.591 -17.802 1.368 1.00 0.00 C ATOM 768 CD2 LEU A 49 3.498 -17.627 2.879 1.00 0.00 C ATOM 0 H LEU A 49 -0.354 -16.206 5.314 1.00 0.00 H new ATOM 0 HA LEU A 49 0.091 -16.389 3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.668 -17.691 4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.835 -19.145 4.206 1.00 0.00 H new ATOM 0 HG LEU A 49 2.221 -19.388 2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.358 -17.953 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.694 -18.358 1.094 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.353 -16.741 1.437 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.091 -17.818 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 49 3.366 -16.552 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.014 -18.033 3.749 1.00 0.00 H new ATOM 780 N GLY A 50 -1.223 -19.241 2.660 1.00 0.00 N ATOM 781 CA GLY A 50 -2.113 -19.915 1.726 1.00 0.00 C ATOM 782 C GLY A 50 -3.522 -19.769 2.321 1.00 0.00 C ATOM 783 O GLY A 50 -3.996 -20.781 2.802 1.00 0.00 O ATOM 0 H GLY A 50 -0.763 -19.846 3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.057 -19.463 0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.842 -20.965 1.614 1.00 0.00 H new ATOM 787 N VAL A 51 -4.004 -18.526 2.212 1.00 0.00 N ATOM 788 CA VAL A 51 -5.316 -18.227 2.716 1.00 0.00 C ATOM 789 C VAL A 51 -6.104 -17.158 1.988 1.00 0.00 C ATOM 790 O VAL A 51 -5.730 -15.991 2.081 1.00 0.00 O ATOM 791 CB VAL A 51 -5.344 -17.976 4.244 1.00 0.00 C ATOM 792 CG1 VAL A 51 -6.507 -17.176 4.771 1.00 0.00 C ATOM 793 CG2 VAL A 51 -5.407 -19.287 5.030 1.00 0.00 C ATOM 0 H VAL A 51 -3.509 -17.741 1.789 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.843 -19.156 2.498 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.423 -17.411 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.414 -17.068 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.510 -16.190 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.439 -17.691 4.536 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.425 -19.070 6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -6.309 -19.833 4.755 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.531 -19.893 4.798 1.00 0.00 H new ATOM 803 N ASP A 52 -7.163 -17.684 1.313 1.00 0.00 N ATOM 804 CA ASP A 52 -7.988 -16.720 0.585 1.00 0.00 C ATOM 805 C ASP A 52 -9.074 -16.239 1.580 1.00 0.00 C ATOM 806 O ASP A 52 -9.286 -16.885 2.575 1.00 0.00 O ATOM 807 CB ASP A 52 -8.589 -17.296 -0.682 1.00 0.00 C ATOM 808 CG ASP A 52 -9.783 -18.217 -0.377 1.00 0.00 C ATOM 809 OD1 ASP A 52 -9.673 -18.928 0.621 1.00 0.00 O ATOM 810 OD2 ASP A 52 -10.791 -18.241 -1.086 1.00 0.00 O ATOM 0 H ASP A 52 -7.436 -18.666 1.264 1.00 0.00 H new ATOM 0 HA ASP A 52 -7.378 -15.887 0.237 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.913 -16.484 -1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -7.827 -17.855 -1.225 1.00 0.00 H new ATOM 815 N PHE A 53 -9.676 -15.088 1.170 1.00 0.00 N ATOM 816 CA PHE A 53 -10.682 -14.639 2.092 1.00 0.00 C ATOM 817 C PHE A 53 -11.353 -13.347 1.704 1.00 0.00 C ATOM 818 O PHE A 53 -10.829 -12.700 0.802 1.00 0.00 O ATOM 819 CB PHE A 53 -9.993 -14.323 3.446 1.00 0.00 C ATOM 820 CG PHE A 53 -8.724 -13.523 3.153 1.00 0.00 C ATOM 821 CD1 PHE A 53 -8.812 -12.170 2.840 1.00 0.00 C ATOM 822 CD2 PHE A 53 -7.462 -14.028 3.169 1.00 0.00 C ATOM 823 CE1 PHE A 53 -7.667 -11.425 2.568 1.00 0.00 C ATOM 824 CE2 PHE A 53 -6.362 -13.235 2.890 1.00 0.00 C ATOM 825 CZ PHE A 53 -6.566 -11.905 2.590 1.00 0.00 C ATOM 0 H PHE A 53 -9.501 -14.541 0.327 1.00 0.00 H new ATOM 0 HA PHE A 53 -11.426 -15.435 2.120 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -10.662 -13.754 4.091 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.749 -15.245 3.974 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -9.780 -11.692 2.808 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -7.314 -15.072 3.405 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.773 -10.377 2.328 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -5.365 -13.650 2.907 1.00 0.00 H new ATOM 0 HZ PHE A 53 -5.714 -11.279 2.369 1.00 0.00 H new ATOM 835 N ALA A 54 -12.451 -13.032 2.371 1.00 0.00 N ATOM 836 CA ALA A 54 -13.203 -11.791 2.089 1.00 0.00 C ATOM 837 C ALA A 54 -12.975 -11.022 3.429 1.00 0.00 C ATOM 838 O ALA A 54 -13.840 -11.102 4.273 1.00 0.00 O ATOM 839 CB ALA A 54 -14.661 -11.991 1.793 1.00 0.00 C ATOM 0 H ALA A 54 -12.851 -13.608 3.112 1.00 0.00 H new ATOM 0 HA ALA A 54 -12.867 -11.282 1.186 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -15.129 -11.026 1.599 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -14.770 -12.630 0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.144 -12.463 2.648 1.00 0.00 H new ATOM 845 N TYR A 55 -11.827 -10.358 3.469 1.00 0.00 N ATOM 846 CA TYR A 55 -11.563 -9.616 4.711 1.00 0.00 C ATOM 847 C TYR A 55 -11.990 -8.167 4.692 1.00 0.00 C ATOM 848 O TYR A 55 -11.997 -7.521 3.656 1.00 0.00 O ATOM 849 CB TYR A 55 -10.077 -9.807 5.069 1.00 0.00 C ATOM 850 CG TYR A 55 -9.781 -9.926 6.541 1.00 0.00 C ATOM 851 CD1 TYR A 55 -9.924 -8.912 7.432 1.00 0.00 C ATOM 852 CD2 TYR A 55 -9.328 -11.087 7.137 1.00 0.00 C ATOM 853 CE1 TYR A 55 -9.659 -9.004 8.782 1.00 0.00 C ATOM 854 CE2 TYR A 55 -9.081 -11.096 8.509 1.00 0.00 C ATOM 855 CZ TYR A 55 -9.264 -10.009 9.315 1.00 0.00 C ATOM 856 OH TYR A 55 -9.023 -10.021 10.660 1.00 0.00 O ATOM 0 H TYR A 55 -11.119 -10.310 2.737 1.00 0.00 H new ATOM 0 HA TYR A 55 -12.195 -10.032 5.496 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -9.712 -10.703 4.568 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -9.512 -8.965 4.668 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.272 -7.961 7.055 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.167 -11.977 6.547 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -9.814 -8.128 9.394 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -8.726 -12.012 8.958 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.711 -10.910 10.928 1.00 0.00 H new ATOM 866 N SER A 56 -12.327 -7.765 5.925 1.00 0.00 N ATOM 867 CA SER A 56 -12.758 -6.372 6.036 1.00 0.00 C ATOM 868 C SER A 56 -11.615 -5.653 6.813 1.00 0.00 C ATOM 869 O SER A 56 -11.746 -5.609 8.040 1.00 0.00 O ATOM 870 CB SER A 56 -14.076 -6.418 6.758 1.00 0.00 C ATOM 871 OG SER A 56 -14.309 -5.298 7.592 1.00 0.00 O ATOM 0 H SER A 56 -12.314 -8.322 6.780 1.00 0.00 H new ATOM 0 HA SER A 56 -12.915 -5.832 5.102 1.00 0.00 H new ATOM 0 HB2 SER A 56 -14.879 -6.487 6.025 1.00 0.00 H new ATOM 0 HB3 SER A 56 -14.117 -7.324 7.362 1.00 0.00 H new ATOM 0 HG SER A 56 -13.519 -5.135 8.149 1.00 0.00 H new ATOM 877 N LEU A 57 -10.633 -5.171 6.065 1.00 0.00 N ATOM 878 CA LEU A 57 -9.503 -4.473 6.694 1.00 0.00 C ATOM 879 C LEU A 57 -9.934 -3.211 7.425 1.00 0.00 C ATOM 880 O LEU A 57 -9.998 -3.225 8.648 1.00 0.00 O ATOM 881 CB LEU A 57 -8.431 -4.192 5.645 1.00 0.00 C ATOM 882 CG LEU A 57 -7.383 -5.313 5.593 1.00 0.00 C ATOM 883 CD1 LEU A 57 -6.464 -5.278 6.799 1.00 0.00 C ATOM 884 CD2 LEU A 57 -7.972 -6.727 5.619 1.00 0.00 C ATOM 0 H LEU A 57 -10.587 -5.243 5.049 1.00 0.00 H new ATOM 0 HA LEU A 57 -9.081 -5.123 7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.898 -4.084 4.666 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.941 -3.245 5.870 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.869 -5.124 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.737 -6.086 6.726 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.942 -4.322 6.831 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -7.052 -5.401 7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.165 -7.458 5.579 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -8.543 -6.867 6.537 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.628 -6.864 4.759 1.00 0.00 H new ATOM 896 N ALA A 58 -10.230 -2.144 6.705 1.00 0.00 N ATOM 897 CA ALA A 58 -10.652 -0.912 7.362 1.00 0.00 C ATOM 898 C ALA A 58 -12.153 -0.984 7.640 1.00 0.00 C ATOM 899 O ALA A 58 -12.554 -2.083 8.043 1.00 0.00 O ATOM 900 CB ALA A 58 -10.351 0.227 6.415 1.00 0.00 C ATOM 0 H ALA A 58 -10.189 -2.100 5.687 1.00 0.00 H new ATOM 0 HA ALA A 58 -10.130 -0.766 8.308 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -10.653 1.169 6.872 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -9.282 0.252 6.205 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -10.900 0.082 5.485 1.00 0.00 H new ATOM 906 N ASP A 59 -12.897 0.139 7.427 1.00 0.00 N ATOM 907 CA ASP A 59 -14.342 0.126 7.677 1.00 0.00 C ATOM 908 C ASP A 59 -15.132 0.198 6.393 1.00 0.00 C ATOM 909 O ASP A 59 -16.341 0.319 6.388 1.00 0.00 O ATOM 910 CB ASP A 59 -14.787 1.288 8.589 1.00 0.00 C ATOM 911 CG ASP A 59 -16.014 0.962 9.439 1.00 0.00 C ATOM 912 OD1 ASP A 59 -16.475 -0.157 9.450 1.00 0.00 O ATOM 913 OD2 ASP A 59 -16.492 1.870 10.088 1.00 0.00 O ATOM 0 H ASP A 59 -12.524 1.028 7.094 1.00 0.00 H new ATOM 0 HA ASP A 59 -14.545 -0.820 8.179 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -13.961 1.560 9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -15.004 2.160 7.973 1.00 0.00 H new ATOM 918 N GLY A 60 -14.337 0.112 5.286 1.00 0.00 N ATOM 919 CA GLY A 60 -14.919 0.164 3.958 1.00 0.00 C ATOM 920 C GLY A 60 -13.827 -0.277 2.960 1.00 0.00 C ATOM 921 O GLY A 60 -13.434 0.588 2.185 1.00 0.00 O ATOM 0 H GLY A 60 -13.322 0.010 5.308 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.787 -0.492 3.893 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -15.264 1.172 3.729 1.00 0.00 H new ATOM 925 N THR A 61 -13.467 -1.558 3.095 1.00 0.00 N ATOM 926 CA THR A 61 -12.470 -2.213 2.285 1.00 0.00 C ATOM 927 C THR A 61 -13.004 -3.447 1.573 1.00 0.00 C ATOM 928 O THR A 61 -13.265 -3.394 0.390 1.00 0.00 O ATOM 929 CB THR A 61 -11.209 -2.469 3.150 1.00 0.00 C ATOM 930 OG1 THR A 61 -11.482 -2.700 4.493 1.00 0.00 O ATOM 931 CG2 THR A 61 -10.199 -1.322 3.061 1.00 0.00 C ATOM 0 H THR A 61 -13.881 -2.173 3.795 1.00 0.00 H new ATOM 0 HA THR A 61 -12.182 -1.556 1.465 1.00 0.00 H new ATOM 0 HB THR A 61 -10.784 -3.378 2.724 1.00 0.00 H new ATOM 0 HG1 THR A 61 -12.326 -3.192 4.575 1.00 0.00 H new ATOM 0 HG21 THR A 61 -9.334 -1.550 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 61 -9.878 -1.199 2.027 1.00 0.00 H new ATOM 0 HG23 THR A 61 -10.664 -0.400 3.409 1.00 0.00 H new ATOM 939 N GLU A 62 -13.148 -4.535 2.334 1.00 0.00 N ATOM 940 CA GLU A 62 -13.653 -5.755 1.730 1.00 0.00 C ATOM 941 C GLU A 62 -12.651 -6.262 0.694 1.00 0.00 C ATOM 942 O GLU A 62 -13.063 -6.848 -0.304 1.00 0.00 O ATOM 943 CB GLU A 62 -15.010 -5.535 1.070 1.00 0.00 C ATOM 944 CG GLU A 62 -15.927 -6.769 1.152 1.00 0.00 C ATOM 945 CD GLU A 62 -17.185 -6.315 1.866 1.00 0.00 C ATOM 946 OE1 GLU A 62 -18.062 -5.770 1.230 1.00 0.00 O ATOM 947 OE2 GLU A 62 -17.302 -6.508 3.087 1.00 0.00 O ATOM 0 H GLU A 62 -12.930 -4.592 3.329 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.782 -6.496 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -15.506 -4.689 1.545 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -14.860 -5.270 0.023 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -16.160 -7.148 0.157 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -15.442 -7.579 1.696 1.00 0.00 H new ATOM 954 N LEU A 63 -11.373 -5.978 1.033 1.00 0.00 N ATOM 955 CA LEU A 63 -10.296 -6.372 0.192 1.00 0.00 C ATOM 956 C LEU A 63 -10.145 -7.901 0.283 1.00 0.00 C ATOM 957 O LEU A 63 -9.362 -8.444 1.026 1.00 0.00 O ATOM 958 CB LEU A 63 -9.009 -5.727 0.738 1.00 0.00 C ATOM 959 CG LEU A 63 -8.758 -4.357 0.113 1.00 0.00 C ATOM 960 CD1 LEU A 63 -10.039 -3.549 -0.032 1.00 0.00 C ATOM 961 CD2 LEU A 63 -7.823 -3.555 1.015 1.00 0.00 C ATOM 0 H LEU A 63 -11.097 -5.482 1.880 1.00 0.00 H new ATOM 0 HA LEU A 63 -10.477 -6.067 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -9.083 -5.625 1.821 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -8.160 -6.380 0.537 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.328 -4.530 -0.874 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.811 -2.582 -0.481 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.739 -4.089 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.486 -3.396 0.950 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.641 -2.576 0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.282 -3.430 1.996 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.877 -4.086 1.122 1.00 0.00 H new ATOM 973 N THR A 64 -10.991 -8.536 -0.559 1.00 0.00 N ATOM 974 CA THR A 64 -11.090 -9.959 -0.704 1.00 0.00 C ATOM 975 C THR A 64 -9.798 -10.346 -1.451 1.00 0.00 C ATOM 976 O THR A 64 -9.632 -9.921 -2.588 1.00 0.00 O ATOM 977 CB THR A 64 -12.280 -10.298 -1.616 1.00 0.00 C ATOM 978 OG1 THR A 64 -13.496 -10.171 -0.942 1.00 0.00 O ATOM 979 CG2 THR A 64 -12.213 -11.704 -2.172 1.00 0.00 C ATOM 0 H THR A 64 -11.636 -8.030 -1.167 1.00 0.00 H new ATOM 0 HA THR A 64 -11.220 -10.468 0.251 1.00 0.00 H new ATOM 0 HB THR A 64 -12.219 -9.583 -2.437 1.00 0.00 H new ATOM 0 HG1 THR A 64 -14.232 -10.392 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 64 -13.079 -11.885 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 64 -11.302 -11.820 -2.758 1.00 0.00 H new ATOM 0 HG23 THR A 64 -12.210 -12.420 -1.350 1.00 0.00 H new ATOM 987 N GLY A 65 -8.977 -11.125 -0.741 1.00 0.00 N ATOM 988 CA GLY A 65 -7.768 -11.438 -1.517 1.00 0.00 C ATOM 989 C GLY A 65 -7.265 -12.812 -1.066 1.00 0.00 C ATOM 990 O GLY A 65 -8.073 -13.569 -0.605 1.00 0.00 O ATOM 0 H GLY A 65 -9.084 -11.498 0.202 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.990 -11.444 -2.584 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.003 -10.679 -1.355 1.00 0.00 H new ATOM 994 N THR A 66 -5.947 -12.884 -1.321 1.00 0.00 N ATOM 995 CA THR A 66 -5.187 -14.095 -1.054 1.00 0.00 C ATOM 996 C THR A 66 -3.744 -13.914 -1.418 1.00 0.00 C ATOM 997 O THR A 66 -3.464 -13.419 -2.518 1.00 0.00 O ATOM 998 CB THR A 66 -5.837 -15.116 -2.018 1.00 0.00 C ATOM 999 OG1 THR A 66 -5.035 -16.227 -2.132 1.00 0.00 O ATOM 1000 CG2 THR A 66 -5.972 -14.432 -3.405 1.00 0.00 C ATOM 0 H THR A 66 -5.398 -12.117 -1.709 1.00 0.00 H new ATOM 0 HA THR A 66 -5.207 -14.389 -0.004 1.00 0.00 H new ATOM 0 HB THR A 66 -6.812 -15.427 -1.642 1.00 0.00 H new ATOM 0 HG1 THR A 66 -5.452 -16.870 -2.742 1.00 0.00 H new ATOM 0 HG21 THR A 66 -6.428 -15.127 -4.110 1.00 0.00 H new ATOM 0 HG22 THR A 66 -6.598 -13.544 -3.314 1.00 0.00 H new ATOM 0 HG23 THR A 66 -4.985 -14.144 -3.766 1.00 0.00 H new ATOM 1008 N TRP A 67 -2.748 -14.225 -0.595 1.00 0.00 N ATOM 1009 CA TRP A 67 -1.370 -13.918 -1.048 1.00 0.00 C ATOM 1010 C TRP A 67 -0.496 -15.084 -0.598 1.00 0.00 C ATOM 1011 O TRP A 67 -0.302 -15.286 0.581 1.00 0.00 O ATOM 1012 CB TRP A 67 -0.961 -12.612 -0.373 1.00 0.00 C ATOM 1013 CG TRP A 67 -2.097 -11.679 -0.849 1.00 0.00 C ATOM 1014 CD1 TRP A 67 -3.305 -11.567 -0.170 1.00 0.00 C ATOM 1015 CD2 TRP A 67 -2.045 -10.864 -2.019 1.00 0.00 C ATOM 1016 NE1 TRP A 67 -3.972 -10.746 -0.891 1.00 0.00 N ATOM 1017 CE2 TRP A 67 -3.303 -10.288 -1.983 1.00 0.00 C ATOM 1018 CE3 TRP A 67 -1.150 -10.592 -2.999 1.00 0.00 C ATOM 1019 CZ2 TRP A 67 -3.639 -9.426 -2.982 1.00 0.00 C ATOM 1020 CZ3 TRP A 67 -1.517 -9.729 -3.986 1.00 0.00 C ATOM 1021 CH2 TRP A 67 -2.754 -9.147 -3.979 1.00 0.00 C ATOM 0 H TRP A 67 -2.839 -14.657 0.324 1.00 0.00 H new ATOM 0 HA TRP A 67 -1.279 -13.798 -2.128 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.925 -12.700 0.713 1.00 0.00 H new ATOM 0 HB3 TRP A 67 0.021 -12.268 -0.697 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.608 -12.055 0.745 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -4.925 -10.460 -0.666 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -0.171 -11.048 -2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -4.614 -8.961 -2.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -0.824 -9.502 -4.783 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -3.031 -8.463 -4.768 1.00 0.00 H new ATOM 1032 N THR A 68 -0.076 -15.720 -1.701 1.00 0.00 N ATOM 1033 CA THR A 68 0.758 -16.879 -1.741 1.00 0.00 C ATOM 1034 C THR A 68 2.265 -16.630 -1.957 1.00 0.00 C ATOM 1035 O THR A 68 2.791 -17.213 -2.883 1.00 0.00 O ATOM 1036 CB THR A 68 0.271 -17.874 -2.794 1.00 0.00 C ATOM 1037 OG1 THR A 68 0.603 -17.550 -4.119 1.00 0.00 O ATOM 1038 CG2 THR A 68 -1.239 -18.152 -2.674 1.00 0.00 C ATOM 0 H THR A 68 -0.338 -15.401 -2.634 1.00 0.00 H new ATOM 0 HA THR A 68 0.664 -17.284 -0.733 1.00 0.00 H new ATOM 0 HB THR A 68 0.824 -18.785 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 68 1.568 -17.391 -4.185 1.00 0.00 H new ATOM 0 HG21 THR A 68 -1.540 -18.864 -3.442 1.00 0.00 H new ATOM 0 HG22 THR A 68 -1.455 -18.567 -1.690 1.00 0.00 H new ATOM 0 HG23 THR A 68 -1.792 -17.222 -2.805 1.00 0.00 H new ATOM 1046 N MET A 69 2.693 -15.788 -1.030 1.00 0.00 N ATOM 1047 CA MET A 69 4.064 -15.329 -0.930 1.00 0.00 C ATOM 1048 C MET A 69 4.911 -16.561 -1.230 1.00 0.00 C ATOM 1049 O MET A 69 4.978 -17.446 -0.405 1.00 0.00 O ATOM 1050 CB MET A 69 4.306 -14.891 0.523 1.00 0.00 C ATOM 1051 CG MET A 69 5.781 -14.927 0.921 1.00 0.00 C ATOM 1052 SD MET A 69 6.654 -13.717 -0.057 1.00 0.00 S ATOM 1053 CE MET A 69 6.122 -12.240 0.778 1.00 0.00 C ATOM 0 H MET A 69 2.082 -15.398 -0.312 1.00 0.00 H new ATOM 0 HA MET A 69 4.294 -14.501 -1.600 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.923 -13.880 0.660 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.739 -15.540 1.191 1.00 0.00 H new ATOM 0 HG2 MET A 69 5.893 -14.709 1.983 1.00 0.00 H new ATOM 0 HG3 MET A 69 6.195 -15.921 0.754 1.00 0.00 H new ATOM 0 HE1 MET A 69 6.408 -11.367 0.191 1.00 0.00 H new ATOM 0 HE2 MET A 69 5.039 -12.259 0.896 1.00 0.00 H new ATOM 0 HE3 MET A 69 6.593 -12.187 1.760 1.00 0.00 H new ATOM 1063 N GLU A 70 5.494 -16.495 -2.422 1.00 0.00 N ATOM 1064 CA GLU A 70 6.339 -17.587 -2.878 1.00 0.00 C ATOM 1065 C GLU A 70 7.638 -16.965 -3.366 1.00 0.00 C ATOM 1066 O GLU A 70 7.667 -16.213 -4.314 1.00 0.00 O ATOM 1067 CB GLU A 70 5.638 -18.278 -4.052 1.00 0.00 C ATOM 1068 CG GLU A 70 6.528 -19.181 -4.901 1.00 0.00 C ATOM 1069 CD GLU A 70 6.852 -20.499 -4.181 1.00 0.00 C ATOM 1070 OE1 GLU A 70 5.985 -20.974 -3.446 1.00 0.00 O ATOM 1071 OE2 GLU A 70 7.957 -21.004 -4.381 1.00 0.00 O ATOM 0 H GLU A 70 5.400 -15.717 -3.074 1.00 0.00 H new ATOM 0 HA GLU A 70 6.528 -18.312 -2.087 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.812 -18.872 -3.662 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.204 -17.513 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.031 -19.396 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.455 -18.659 -5.139 1.00 0.00 H new ATOM 1078 N GLY A 71 8.691 -17.338 -2.639 1.00 0.00 N ATOM 1079 CA GLY A 71 9.958 -16.806 -3.015 1.00 0.00 C ATOM 1080 C GLY A 71 9.868 -15.267 -2.858 1.00 0.00 C ATOM 1081 O GLY A 71 9.403 -14.734 -1.839 1.00 0.00 O ATOM 0 H GLY A 71 8.680 -17.969 -1.837 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.749 -17.212 -2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.200 -17.075 -4.043 1.00 0.00 H new ATOM 1085 N ASN A 72 10.333 -14.591 -3.925 1.00 0.00 N ATOM 1086 CA ASN A 72 10.284 -13.144 -3.867 1.00 0.00 C ATOM 1087 C ASN A 72 9.058 -12.628 -4.600 1.00 0.00 C ATOM 1088 O ASN A 72 9.271 -11.770 -5.459 1.00 0.00 O ATOM 1089 CB ASN A 72 11.578 -12.649 -4.542 1.00 0.00 C ATOM 1090 CG ASN A 72 12.701 -13.427 -3.884 1.00 0.00 C ATOM 1091 OD1 ASN A 72 13.102 -14.461 -4.436 1.00 0.00 O ATOM 1092 ND2 ASN A 72 13.203 -12.958 -2.744 1.00 0.00 N ATOM 0 H ASN A 72 10.719 -15.000 -4.776 1.00 0.00 H new ATOM 0 HA ASN A 72 10.213 -12.783 -2.841 1.00 0.00 H new ATOM 0 HB2 ASN A 72 11.553 -12.829 -5.617 1.00 0.00 H new ATOM 0 HB3 ASN A 72 11.709 -11.576 -4.401 1.00 0.00 H new ATOM 0 HD21 ASN A 72 13.960 -13.457 -2.277 1.00 0.00 H new ATOM 0 HD22 ASN A 72 12.830 -12.100 -2.338 1.00 0.00 H new ATOM 1099 N LYS A 73 7.848 -13.120 -4.282 1.00 0.00 N ATOM 1100 CA LYS A 73 6.667 -12.622 -4.992 1.00 0.00 C ATOM 1101 C LYS A 73 5.523 -12.265 -4.087 1.00 0.00 C ATOM 1102 O LYS A 73 5.601 -12.545 -2.886 1.00 0.00 O ATOM 1103 CB LYS A 73 6.294 -13.608 -6.089 1.00 0.00 C ATOM 1104 CG LYS A 73 7.173 -13.527 -7.324 1.00 0.00 C ATOM 1105 CD LYS A 73 8.412 -14.419 -7.282 1.00 0.00 C ATOM 1106 CE LYS A 73 9.647 -13.635 -7.761 1.00 0.00 C ATOM 1107 NZ LYS A 73 10.526 -14.474 -8.534 1.00 0.00 N ATOM 0 H LYS A 73 7.669 -13.829 -3.571 1.00 0.00 H new ATOM 0 HA LYS A 73 6.922 -11.670 -5.457 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.346 -14.619 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.259 -13.434 -6.382 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.577 -13.796 -8.196 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.490 -12.493 -7.461 1.00 0.00 H new ATOM 0 HD2 LYS A 73 8.574 -14.782 -6.267 1.00 0.00 H new ATOM 0 HD3 LYS A 73 8.260 -15.295 -7.913 1.00 0.00 H new ATOM 0 HE2 LYS A 73 9.330 -12.783 -8.363 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.184 -13.235 -6.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.350 -13.921 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 10.845 -15.273 -7.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 10.018 -14.835 -9.367 1.00 0.00 H new ATOM 1121 N LEU A 74 4.497 -11.652 -4.653 1.00 0.00 N ATOM 1122 CA LEU A 74 3.372 -11.277 -3.820 1.00 0.00 C ATOM 1123 C LEU A 74 2.071 -11.200 -4.580 1.00 0.00 C ATOM 1124 O LEU A 74 1.294 -10.281 -4.462 1.00 0.00 O ATOM 1125 CB LEU A 74 3.709 -9.939 -3.140 1.00 0.00 C ATOM 1126 CG LEU A 74 4.013 -10.192 -1.636 1.00 0.00 C ATOM 1127 CD1 LEU A 74 4.312 -8.956 -0.822 1.00 0.00 C ATOM 1128 CD2 LEU A 74 2.916 -10.979 -0.892 1.00 0.00 C ATOM 0 H LEU A 74 4.420 -11.413 -5.641 1.00 0.00 H new ATOM 0 HA LEU A 74 3.216 -12.055 -3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 74 4.569 -9.478 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.875 -9.245 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 74 4.919 -10.794 -1.706 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.510 -9.240 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.186 -8.452 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.456 -8.282 -0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.207 -11.112 0.150 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.977 -10.428 -0.939 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.787 -11.955 -1.360 1.00 0.00 H new ATOM 1140 N VAL A 75 1.927 -12.286 -5.374 1.00 0.00 N ATOM 1141 CA VAL A 75 0.800 -12.530 -6.227 1.00 0.00 C ATOM 1142 C VAL A 75 -0.481 -12.916 -5.525 1.00 0.00 C ATOM 1143 O VAL A 75 -0.577 -13.730 -4.636 1.00 0.00 O ATOM 1144 CB VAL A 75 1.341 -13.525 -7.273 1.00 0.00 C ATOM 1145 CG1 VAL A 75 0.344 -14.105 -8.231 1.00 0.00 C ATOM 1146 CG2 VAL A 75 2.288 -12.680 -8.177 1.00 0.00 C ATOM 0 H VAL A 75 2.629 -13.025 -5.421 1.00 0.00 H new ATOM 0 HA VAL A 75 0.439 -11.618 -6.702 1.00 0.00 H new ATOM 0 HB VAL A 75 1.765 -14.357 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.850 -14.788 -8.913 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.421 -14.647 -7.676 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -0.122 -13.302 -8.801 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.716 -13.317 -8.951 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.722 -11.873 -8.643 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.089 -12.258 -7.570 1.00 0.00 H new ATOM 1156 N GLY A 76 -1.492 -12.208 -6.045 1.00 0.00 N ATOM 1157 CA GLY A 76 -2.835 -12.450 -5.473 1.00 0.00 C ATOM 1158 C GLY A 76 -3.605 -11.150 -5.836 1.00 0.00 C ATOM 1159 O GLY A 76 -3.172 -10.510 -6.773 1.00 0.00 O ATOM 0 H GLY A 76 -1.429 -11.520 -6.795 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.306 -13.333 -5.906 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -2.793 -12.607 -4.395 1.00 0.00 H new ATOM 1163 N LYS A 77 -4.682 -10.896 -5.041 1.00 0.00 N ATOM 1164 CA LYS A 77 -5.386 -9.685 -5.377 1.00 0.00 C ATOM 1165 C LYS A 77 -6.484 -9.270 -4.438 1.00 0.00 C ATOM 1166 O LYS A 77 -7.320 -10.076 -4.090 1.00 0.00 O ATOM 1167 CB LYS A 77 -6.096 -10.097 -6.707 1.00 0.00 C ATOM 1168 CG LYS A 77 -7.319 -9.267 -6.965 1.00 0.00 C ATOM 1169 CD LYS A 77 -7.995 -9.418 -8.330 1.00 0.00 C ATOM 1170 CE LYS A 77 -7.460 -10.591 -9.152 1.00 0.00 C ATOM 1171 NZ LYS A 77 -6.566 -10.144 -10.238 1.00 0.00 N ATOM 0 H LYS A 77 -5.030 -11.453 -4.261 1.00 0.00 H new ATOM 0 HA LYS A 77 -4.685 -8.851 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.401 -9.988 -7.539 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.374 -11.150 -6.660 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -8.055 -9.503 -6.196 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -7.049 -8.219 -6.837 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -9.067 -9.548 -8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.860 -8.497 -8.897 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -6.921 -11.276 -8.498 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.296 -11.147 -9.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -6.226 -10.970 -10.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -7.087 -9.511 -10.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.754 -9.636 -9.832 1.00 0.00 H new ATOM 1185 N PHE A 78 -6.407 -7.972 -4.084 1.00 0.00 N ATOM 1186 CA PHE A 78 -7.422 -7.447 -3.183 1.00 0.00 C ATOM 1187 C PHE A 78 -8.185 -6.481 -4.102 1.00 0.00 C ATOM 1188 O PHE A 78 -7.851 -6.016 -5.149 1.00 0.00 O ATOM 1189 CB PHE A 78 -6.835 -6.743 -1.999 1.00 0.00 C ATOM 1190 CG PHE A 78 -5.601 -7.207 -1.342 1.00 0.00 C ATOM 1191 CD1 PHE A 78 -4.289 -7.017 -1.646 1.00 0.00 C ATOM 1192 CD2 PHE A 78 -5.785 -7.992 -0.189 1.00 0.00 C ATOM 1193 CE1 PHE A 78 -3.300 -7.583 -0.870 1.00 0.00 C ATOM 1194 CE2 PHE A 78 -4.780 -8.535 0.561 1.00 0.00 C ATOM 1195 CZ PHE A 78 -3.498 -8.261 0.102 1.00 0.00 C ATOM 0 H PHE A 78 -5.694 -7.311 -4.392 1.00 0.00 H new ATOM 0 HA PHE A 78 -8.044 -8.222 -2.735 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.659 -5.711 -2.304 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -7.609 -6.721 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -4.020 -6.417 -2.503 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -6.800 -8.180 0.128 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -2.274 -7.404 -1.156 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -4.968 -9.131 1.442 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.653 -8.670 0.635 1.00 0.00 H new ATOM 1205 N LYS A 79 -9.353 -6.249 -3.452 1.00 0.00 N ATOM 1206 CA LYS A 79 -10.289 -5.355 -4.085 1.00 0.00 C ATOM 1207 C LYS A 79 -11.488 -4.937 -3.280 1.00 0.00 C ATOM 1208 O LYS A 79 -11.981 -5.743 -2.498 1.00 0.00 O ATOM 1209 CB LYS A 79 -10.784 -6.154 -5.335 1.00 0.00 C ATOM 1210 CG LYS A 79 -11.621 -5.284 -6.237 1.00 0.00 C ATOM 1211 CD LYS A 79 -12.932 -5.914 -6.774 1.00 0.00 C ATOM 1212 CE LYS A 79 -12.631 -7.226 -7.518 1.00 0.00 C ATOM 1213 NZ LYS A 79 -13.755 -7.810 -8.234 1.00 0.00 N ATOM 0 H LYS A 79 -9.635 -6.646 -2.556 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.776 -4.413 -4.279 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.927 -6.538 -5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -11.367 -7.016 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.876 -4.374 -5.694 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.010 -4.987 -7.089 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.616 -6.106 -5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.431 -5.214 -7.445 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.825 -7.044 -8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.262 -7.956 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.451 -8.688 -8.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.521 -8.022 -7.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.097 -7.138 -8.950 1.00 0.00 H new ATOM 1227 N ARG A 80 -11.950 -3.697 -3.498 1.00 0.00 N ATOM 1228 CA ARG A 80 -13.119 -3.312 -2.730 1.00 0.00 C ATOM 1229 C ARG A 80 -14.369 -3.591 -3.618 1.00 0.00 C ATOM 1230 O ARG A 80 -14.550 -2.784 -4.533 1.00 0.00 O ATOM 1231 CB ARG A 80 -13.152 -1.867 -2.264 1.00 0.00 C ATOM 1232 CG ARG A 80 -11.776 -1.227 -2.401 1.00 0.00 C ATOM 1233 CD ARG A 80 -11.687 -0.015 -1.469 1.00 0.00 C ATOM 1234 NE ARG A 80 -10.379 0.067 -0.839 1.00 0.00 N ATOM 1235 CZ ARG A 80 -10.139 1.079 -0.005 1.00 0.00 C ATOM 1236 NH1 ARG A 80 -11.028 2.032 0.297 1.00 0.00 N ATOM 1237 NH2 ARG A 80 -8.909 1.070 0.530 1.00 0.00 N ATOM 0 H ARG A 80 -11.567 -3.005 -4.142 1.00 0.00 H new ATOM 0 HA ARG A 80 -13.098 -3.899 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -13.880 -1.307 -2.851 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -13.478 -1.822 -1.225 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -10.999 -1.950 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -11.606 -0.920 -3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -11.879 0.897 -2.034 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -12.459 -0.084 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 80 -9.662 -0.633 -1.031 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -11.958 2.012 -0.121 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.775 2.778 0.945 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -8.252 0.329 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -8.631 1.804 1.181 1.00 0.00 H new ATOM 1251 N VAL A 81 -15.046 -4.670 -3.251 1.00 0.00 N ATOM 1252 CA VAL A 81 -16.223 -5.053 -3.993 1.00 0.00 C ATOM 1253 C VAL A 81 -17.443 -4.200 -3.614 1.00 0.00 C ATOM 1254 O VAL A 81 -18.312 -4.641 -2.900 1.00 0.00 O ATOM 1255 CB VAL A 81 -16.506 -6.511 -3.733 1.00 0.00 C ATOM 1256 CG1 VAL A 81 -15.412 -7.473 -4.187 1.00 0.00 C ATOM 1257 CG2 VAL A 81 -16.624 -6.852 -2.220 1.00 0.00 C ATOM 0 H VAL A 81 -14.805 -5.276 -2.467 1.00 0.00 H new ATOM 0 HA VAL A 81 -16.034 -4.887 -5.054 1.00 0.00 H new ATOM 0 HB VAL A 81 -17.431 -6.642 -4.294 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -15.709 -8.496 -3.957 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -15.262 -7.372 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -14.483 -7.239 -3.667 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -16.828 -7.916 -2.102 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -15.689 -6.604 -1.717 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -17.437 -6.275 -1.779 1.00 0.00 H new ATOM 1267 N ASP A 82 -17.351 -3.006 -4.176 1.00 0.00 N ATOM 1268 CA ASP A 82 -18.358 -1.980 -4.001 1.00 0.00 C ATOM 1269 C ASP A 82 -18.010 -0.808 -4.891 1.00 0.00 C ATOM 1270 O ASP A 82 -18.924 -0.344 -5.565 1.00 0.00 O ATOM 1271 CB ASP A 82 -18.381 -1.587 -2.512 1.00 0.00 C ATOM 1272 CG ASP A 82 -17.120 -1.982 -1.763 1.00 0.00 C ATOM 1273 OD1 ASP A 82 -16.026 -1.638 -2.210 1.00 0.00 O ATOM 1274 OD2 ASP A 82 -17.218 -2.630 -0.736 1.00 0.00 O ATOM 0 H ASP A 82 -16.571 -2.723 -4.769 1.00 0.00 H new ATOM 0 HA ASP A 82 -19.351 -2.331 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -18.520 -0.509 -2.431 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -19.241 -2.056 -2.034 1.00 0.00 H new ATOM 1279 N ASN A 83 -16.716 -0.379 -4.847 1.00 0.00 N ATOM 1280 CA ASN A 83 -16.404 0.736 -5.683 1.00 0.00 C ATOM 1281 C ASN A 83 -14.958 1.214 -5.663 1.00 0.00 C ATOM 1282 O ASN A 83 -14.755 2.252 -6.325 1.00 0.00 O ATOM 1283 CB ASN A 83 -17.212 1.994 -5.236 1.00 0.00 C ATOM 1284 CG ASN A 83 -16.677 2.511 -3.907 1.00 0.00 C ATOM 1285 OD1 ASN A 83 -15.664 3.389 -4.026 1.00 0.00 O flip ATOM 1286 ND2 ASN A 83 -17.082 2.196 -2.794 1.00 0.00 N flip ATOM 0 H ASN A 83 -15.959 -0.768 -4.285 1.00 0.00 H new ATOM 0 HA ASN A 83 -16.643 0.355 -6.676 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -17.138 2.773 -5.995 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -18.268 1.743 -5.139 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -17.850 1.531 -2.700 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -16.652 2.599 -1.962 1.00 0.00 H new ATOM 1293 N GLY A 84 -14.073 0.522 -4.972 1.00 0.00 N ATOM 1294 CA GLY A 84 -12.708 1.052 -4.996 1.00 0.00 C ATOM 1295 C GLY A 84 -12.078 0.274 -6.173 1.00 0.00 C ATOM 1296 O GLY A 84 -11.387 0.891 -6.969 1.00 0.00 O ATOM 0 H GLY A 84 -14.238 -0.328 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.692 2.129 -5.164 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -12.183 0.868 -4.059 1.00 0.00 H new ATOM 1300 N LYS A 85 -12.428 -1.022 -6.091 1.00 0.00 N ATOM 1301 CA LYS A 85 -12.005 -2.020 -7.039 1.00 0.00 C ATOM 1302 C LYS A 85 -10.677 -2.629 -6.708 1.00 0.00 C ATOM 1303 O LYS A 85 -10.412 -2.544 -5.487 1.00 0.00 O ATOM 1304 CB LYS A 85 -11.957 -1.367 -8.421 1.00 0.00 C ATOM 1305 CG LYS A 85 -12.249 -2.483 -9.438 1.00 0.00 C ATOM 1306 CD LYS A 85 -13.512 -2.132 -10.227 1.00 0.00 C ATOM 1307 CE LYS A 85 -13.731 -2.874 -11.524 1.00 0.00 C ATOM 1308 NZ LYS A 85 -13.765 -1.958 -12.686 1.00 0.00 N ATOM 0 H LYS A 85 -13.021 -1.391 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 85 -12.722 -2.840 -7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -12.694 -0.568 -8.499 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.981 -0.919 -8.605 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.404 -2.602 -10.116 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.381 -3.434 -8.923 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.374 -2.309 -9.584 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.491 -1.064 -10.445 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.935 -3.606 -11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -14.668 -3.428 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.917 -2.507 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -14.540 -1.275 -12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.861 -1.448 -12.752 1.00 0.00 H new ATOM 1322 N GLU A 86 -9.902 -3.208 -7.620 1.00 0.00 N ATOM 1323 CA GLU A 86 -8.688 -3.802 -7.150 1.00 0.00 C ATOM 1324 C GLU A 86 -7.635 -2.869 -6.541 1.00 0.00 C ATOM 1325 O GLU A 86 -7.560 -1.727 -6.969 1.00 0.00 O ATOM 1326 CB GLU A 86 -8.052 -4.694 -8.214 1.00 0.00 C ATOM 1327 CG GLU A 86 -9.038 -5.476 -9.106 1.00 0.00 C ATOM 1328 CD GLU A 86 -8.726 -5.439 -10.591 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -7.735 -4.851 -10.984 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -9.447 -5.986 -11.412 1.00 0.00 O ATOM 0 H GLU A 86 -10.087 -3.271 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.032 -4.395 -6.303 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.424 -4.074 -8.854 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -7.394 -5.408 -7.718 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.054 -6.516 -8.779 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.040 -5.077 -8.950 1.00 0.00 H new ATOM 1337 N LEU A 87 -6.953 -3.530 -5.598 1.00 0.00 N ATOM 1338 CA LEU A 87 -5.870 -2.990 -4.802 1.00 0.00 C ATOM 1339 C LEU A 87 -4.793 -4.041 -4.591 1.00 0.00 C ATOM 1340 O LEU A 87 -4.163 -4.164 -3.570 1.00 0.00 O ATOM 1341 CB LEU A 87 -6.294 -2.360 -3.473 1.00 0.00 C ATOM 1342 CG LEU A 87 -7.371 -1.258 -3.691 1.00 0.00 C ATOM 1343 CD1 LEU A 87 -8.599 -1.707 -2.865 1.00 0.00 C ATOM 1344 CD2 LEU A 87 -6.970 0.134 -3.259 1.00 0.00 C ATOM 0 H LEU A 87 -7.160 -4.502 -5.366 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.468 -2.160 -5.384 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.688 -3.131 -2.811 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -5.424 -1.929 -2.978 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.553 -1.171 -4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.398 -0.974 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -8.945 -2.676 -3.224 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.321 -1.788 -1.814 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.790 0.826 -3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.742 0.133 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.089 0.449 -3.818 1.00 0.00 H new ATOM 1356 N ILE A 88 -4.713 -4.756 -5.715 1.00 0.00 N ATOM 1357 CA ILE A 88 -3.757 -5.849 -5.822 1.00 0.00 C ATOM 1358 C ILE A 88 -2.392 -5.255 -5.461 1.00 0.00 C ATOM 1359 O ILE A 88 -2.221 -4.068 -5.442 1.00 0.00 O ATOM 1360 CB ILE A 88 -3.763 -6.308 -7.278 1.00 0.00 C ATOM 1361 CG1 ILE A 88 -5.148 -6.908 -7.568 1.00 0.00 C ATOM 1362 CG2 ILE A 88 -2.725 -7.291 -7.749 1.00 0.00 C ATOM 1363 CD1 ILE A 88 -5.527 -6.833 -9.053 1.00 0.00 C ATOM 0 H ILE A 88 -5.286 -4.600 -6.544 1.00 0.00 H new ATOM 0 HA ILE A 88 -3.989 -6.693 -5.173 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.510 -5.402 -7.829 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.163 -7.949 -7.246 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.898 -6.381 -6.979 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.879 -7.504 -8.807 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.731 -6.867 -7.605 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -2.812 -8.214 -7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -6.514 -7.271 -9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.541 -5.791 -9.373 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -4.795 -7.384 -9.644 1.00 0.00 H new ATOM 1375 N ALA A 89 -1.513 -6.231 -5.191 1.00 0.00 N ATOM 1376 CA ALA A 89 -0.138 -5.931 -4.809 1.00 0.00 C ATOM 1377 C ALA A 89 0.729 -6.870 -5.604 1.00 0.00 C ATOM 1378 O ALA A 89 1.434 -7.636 -4.975 1.00 0.00 O ATOM 1379 CB ALA A 89 -0.030 -6.132 -3.271 1.00 0.00 C ATOM 0 H ALA A 89 -1.734 -7.226 -5.231 1.00 0.00 H new ATOM 0 HA ALA A 89 0.179 -4.910 -5.021 1.00 0.00 H new ATOM 0 HB1 ALA A 89 0.988 -5.916 -2.946 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -0.722 -5.458 -2.766 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -0.280 -7.163 -3.020 1.00 0.00 H new ATOM 1385 N VAL A 90 0.600 -6.732 -6.917 1.00 0.00 N ATOM 1386 CA VAL A 90 1.372 -7.564 -7.786 1.00 0.00 C ATOM 1387 C VAL A 90 2.826 -7.129 -7.526 1.00 0.00 C ATOM 1388 O VAL A 90 3.185 -5.975 -7.767 1.00 0.00 O ATOM 1389 CB VAL A 90 1.079 -7.353 -9.258 1.00 0.00 C ATOM 1390 CG1 VAL A 90 2.383 -7.330 -10.102 1.00 0.00 C ATOM 1391 CG2 VAL A 90 0.277 -8.451 -9.930 1.00 0.00 C ATOM 0 H VAL A 90 -0.019 -6.066 -7.380 1.00 0.00 H new ATOM 0 HA VAL A 90 1.152 -8.612 -7.583 1.00 0.00 H new ATOM 0 HB VAL A 90 0.522 -6.416 -9.241 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.134 -7.177 -11.152 1.00 0.00 H new ATOM 0 HG12 VAL A 90 3.024 -6.518 -9.759 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.907 -8.279 -9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.124 -8.200 -10.980 1.00 0.00 H new ATOM 0 HG22 VAL A 90 0.819 -9.394 -9.858 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -0.690 -8.550 -9.436 1.00 0.00 H new ATOM 1401 N ARG A 91 3.672 -8.080 -7.028 1.00 0.00 N ATOM 1402 CA ARG A 91 4.993 -7.602 -6.817 1.00 0.00 C ATOM 1403 C ARG A 91 5.963 -8.650 -6.291 1.00 0.00 C ATOM 1404 O ARG A 91 5.528 -9.632 -5.770 1.00 0.00 O ATOM 1405 CB ARG A 91 5.090 -6.479 -5.757 1.00 0.00 C ATOM 1406 CG ARG A 91 6.284 -5.560 -5.932 1.00 0.00 C ATOM 1407 CD ARG A 91 6.488 -5.052 -7.340 1.00 0.00 C ATOM 1408 NE ARG A 91 7.826 -5.380 -7.835 1.00 0.00 N ATOM 1409 CZ ARG A 91 8.059 -5.801 -9.085 1.00 0.00 C ATOM 1410 NH1 ARG A 91 7.125 -5.965 -10.011 1.00 0.00 N ATOM 1411 NH2 ARG A 91 9.314 -6.099 -9.494 1.00 0.00 N ATOM 0 H ARG A 91 3.466 -9.053 -6.802 1.00 0.00 H new ATOM 0 HA ARG A 91 5.254 -7.262 -7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.178 -5.882 -5.792 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.137 -6.932 -4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.169 -4.706 -5.265 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.183 -6.090 -5.618 1.00 0.00 H new ATOM 0 HD2 ARG A 91 5.737 -5.488 -7.999 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.344 -3.972 -7.364 1.00 0.00 H new ATOM 0 HE ARG A 91 8.617 -5.283 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.149 -5.766 -9.792 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.382 -6.290 -10.943 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.097 -6.004 -8.847 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.477 -6.419 -10.449 1.00 0.00 H new ATOM 1425 N GLU A 92 7.228 -8.222 -6.532 1.00 0.00 N ATOM 1426 CA GLU A 92 8.307 -9.051 -6.112 1.00 0.00 C ATOM 1427 C GLU A 92 9.454 -8.143 -5.647 1.00 0.00 C ATOM 1428 O GLU A 92 9.770 -7.186 -6.314 1.00 0.00 O ATOM 1429 CB GLU A 92 8.720 -9.829 -7.348 1.00 0.00 C ATOM 1430 CG GLU A 92 8.292 -9.203 -8.690 1.00 0.00 C ATOM 1431 CD GLU A 92 9.181 -9.695 -9.813 1.00 0.00 C ATOM 1432 OE1 GLU A 92 10.326 -10.046 -9.538 1.00 0.00 O ATOM 1433 OE2 GLU A 92 8.680 -9.708 -10.945 1.00 0.00 O ATOM 0 H GLU A 92 7.485 -7.349 -6.993 1.00 0.00 H new ATOM 0 HA GLU A 92 8.042 -9.721 -5.294 1.00 0.00 H new ATOM 0 HB2 GLU A 92 9.805 -9.936 -7.345 1.00 0.00 H new ATOM 0 HB3 GLU A 92 8.300 -10.833 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.254 -9.458 -8.902 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.346 -8.116 -8.625 1.00 0.00 H new ATOM 1440 N ILE A 93 9.942 -8.606 -4.490 1.00 0.00 N ATOM 1441 CA ILE A 93 11.042 -7.892 -3.871 1.00 0.00 C ATOM 1442 C ILE A 93 12.268 -7.938 -4.772 1.00 0.00 C ATOM 1443 O ILE A 93 12.901 -8.990 -4.929 1.00 0.00 O ATOM 1444 CB ILE A 93 11.264 -8.304 -2.412 1.00 0.00 C ATOM 1445 CG1 ILE A 93 12.676 -7.987 -1.935 1.00 0.00 C ATOM 1446 CG2 ILE A 93 11.103 -9.806 -2.196 1.00 0.00 C ATOM 1447 CD1 ILE A 93 12.799 -6.529 -1.444 1.00 0.00 C ATOM 0 H ILE A 93 9.607 -9.430 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 93 10.786 -6.836 -3.782 1.00 0.00 H new ATOM 0 HB ILE A 93 10.513 -7.740 -1.859 1.00 0.00 H new ATOM 0 HG12 ILE A 93 12.949 -8.667 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.382 -8.158 -2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 93 11.271 -10.043 -1.145 1.00 0.00 H new ATOM 0 HG22 ILE A 93 10.095 -10.108 -2.479 1.00 0.00 H new ATOM 0 HG23 ILE A 93 11.828 -10.342 -2.809 1.00 0.00 H new ATOM 0 HD11 ILE A 93 13.820 -6.342 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.552 -5.849 -2.259 1.00 0.00 H new ATOM 0 HD13 ILE A 93 12.112 -6.366 -0.614 1.00 0.00 H new ATOM 1459 N SER A 94 12.530 -6.764 -5.322 1.00 0.00 N ATOM 1460 CA SER A 94 13.654 -6.604 -6.218 1.00 0.00 C ATOM 1461 C SER A 94 14.836 -5.842 -5.657 1.00 0.00 C ATOM 1462 O SER A 94 14.877 -4.622 -5.767 1.00 0.00 O ATOM 1463 CB SER A 94 13.130 -5.975 -7.542 1.00 0.00 C ATOM 1464 OG SER A 94 13.594 -6.623 -8.661 1.00 0.00 O ATOM 0 H SER A 94 11.983 -5.918 -5.164 1.00 0.00 H new ATOM 0 HA SER A 94 14.069 -7.597 -6.392 1.00 0.00 H new ATOM 0 HB2 SER A 94 12.040 -5.996 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.429 -4.928 -7.584 1.00 0.00 H new ATOM 0 HG SER A 94 13.234 -6.190 -9.463 1.00 0.00 H new ATOM 1470 N GLY A 95 15.735 -6.615 -5.070 1.00 0.00 N ATOM 1471 CA GLY A 95 16.927 -5.994 -4.478 1.00 0.00 C ATOM 1472 C GLY A 95 16.697 -6.133 -2.969 1.00 0.00 C ATOM 1473 O GLY A 95 16.527 -7.206 -2.440 1.00 0.00 O ATOM 0 H GLY A 95 15.677 -7.630 -4.987 1.00 0.00 H new ATOM 0 HA2 GLY A 95 17.840 -6.500 -4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 95 17.023 -4.949 -4.774 1.00 0.00 H new ATOM 1477 N ASN A 96 16.725 -4.904 -2.400 1.00 0.00 N ATOM 1478 CA ASN A 96 16.529 -4.827 -0.968 1.00 0.00 C ATOM 1479 C ASN A 96 15.458 -3.740 -0.743 1.00 0.00 C ATOM 1480 O ASN A 96 15.726 -2.816 0.045 1.00 0.00 O ATOM 1481 CB ASN A 96 17.832 -4.428 -0.319 1.00 0.00 C ATOM 1482 CG ASN A 96 18.561 -3.378 -1.164 1.00 0.00 C ATOM 1483 OD1 ASN A 96 18.974 -3.682 -2.268 1.00 0.00 O ATOM 1484 ND2 ASN A 96 18.611 -2.225 -0.471 1.00 0.00 N ATOM 0 H ASN A 96 16.872 -4.019 -2.886 1.00 0.00 H new ATOM 0 HA ASN A 96 16.213 -5.778 -0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 96 17.640 -4.030 0.678 1.00 0.00 H new ATOM 0 HB3 ASN A 96 18.466 -5.306 -0.195 1.00 0.00 H new ATOM 0 HD21 ASN A 96 19.062 -1.405 -0.877 1.00 0.00 H new ATOM 0 HD22 ASN A 96 18.198 -2.171 0.460 1.00 0.00 H new ATOM 1491 N GLU A 97 14.360 -3.974 -1.457 1.00 0.00 N ATOM 1492 CA GLU A 97 13.218 -3.112 -1.424 1.00 0.00 C ATOM 1493 C GLU A 97 12.184 -3.604 -2.486 1.00 0.00 C ATOM 1494 O GLU A 97 12.564 -3.944 -3.583 1.00 0.00 O ATOM 1495 CB GLU A 97 13.467 -1.619 -1.464 1.00 0.00 C ATOM 1496 CG GLU A 97 14.611 -1.223 -2.398 1.00 0.00 C ATOM 1497 CD GLU A 97 14.325 -1.735 -3.784 1.00 0.00 C ATOM 1498 OE1 GLU A 97 13.264 -1.437 -4.338 1.00 0.00 O ATOM 1499 OE2 GLU A 97 15.200 -2.427 -4.285 1.00 0.00 O ATOM 0 H GLU A 97 14.253 -4.778 -2.075 1.00 0.00 H new ATOM 0 HA GLU A 97 12.805 -3.207 -0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.555 -1.114 -1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 97 13.691 -1.268 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.723 -0.139 -2.415 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.552 -1.635 -2.033 1.00 0.00 H new ATOM 1506 N LEU A 98 10.952 -3.560 -1.961 1.00 0.00 N ATOM 1507 CA LEU A 98 9.811 -3.958 -2.734 1.00 0.00 C ATOM 1508 C LEU A 98 8.937 -2.703 -3.035 1.00 0.00 C ATOM 1509 O LEU A 98 8.468 -2.052 -2.138 1.00 0.00 O ATOM 1510 CB LEU A 98 9.080 -5.028 -1.926 1.00 0.00 C ATOM 1511 CG LEU A 98 7.876 -5.628 -2.647 1.00 0.00 C ATOM 1512 CD1 LEU A 98 7.845 -7.140 -2.660 1.00 0.00 C ATOM 1513 CD2 LEU A 98 6.618 -5.202 -1.842 1.00 0.00 C ATOM 0 H LEU A 98 10.741 -3.253 -1.012 1.00 0.00 H new ATOM 0 HA LEU A 98 10.081 -4.381 -3.702 1.00 0.00 H new ATOM 0 HB2 LEU A 98 9.780 -5.827 -1.681 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.748 -4.594 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 98 7.920 -5.279 -3.679 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.957 -7.481 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 98 8.736 -7.518 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 98 7.820 -7.512 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 98 5.726 -5.608 -2.319 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.691 -5.584 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.553 -4.114 -1.817 1.00 0.00 H new ATOM 1525 N ILE A 99 8.862 -2.565 -4.370 1.00 0.00 N ATOM 1526 CA ILE A 99 8.138 -1.520 -4.986 1.00 0.00 C ATOM 1527 C ILE A 99 6.691 -1.531 -4.448 1.00 0.00 C ATOM 1528 O ILE A 99 6.568 -0.754 -3.526 1.00 0.00 O ATOM 1529 CB ILE A 99 8.173 -1.812 -6.509 1.00 0.00 C ATOM 1530 CG1 ILE A 99 9.504 -1.253 -7.065 1.00 0.00 C ATOM 1531 CG2 ILE A 99 7.110 -0.941 -7.152 1.00 0.00 C ATOM 1532 CD1 ILE A 99 9.844 -1.572 -8.512 1.00 0.00 C ATOM 0 H ILE A 99 9.317 -3.198 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 99 8.561 -0.537 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 99 8.043 -2.878 -6.697 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.487 -0.169 -6.954 1.00 0.00 H new ATOM 0 HG13 ILE A 99 10.314 -1.625 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 99 7.099 -1.115 -8.228 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.134 -1.190 -6.735 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.332 0.108 -6.956 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.802 -1.119 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.907 -2.652 -8.641 1.00 0.00 H new ATOM 0 HD13 ILE A 99 9.067 -1.173 -9.165 1.00 0.00 H new ATOM 1544 N GLN A 100 5.857 -2.366 -5.071 1.00 0.00 N ATOM 1545 CA GLN A 100 4.454 -2.551 -4.740 1.00 0.00 C ATOM 1546 C GLN A 100 3.697 -1.852 -5.903 1.00 0.00 C ATOM 1547 O GLN A 100 3.401 -0.679 -5.831 1.00 0.00 O ATOM 1548 CB GLN A 100 4.052 -2.033 -3.370 1.00 0.00 C ATOM 1549 CG GLN A 100 4.846 -2.451 -2.136 1.00 0.00 C ATOM 1550 CD GLN A 100 4.080 -3.603 -1.474 1.00 0.00 C ATOM 1551 OE1 GLN A 100 4.459 -3.735 -0.176 1.00 0.00 O flip ATOM 1552 NE2 GLN A 100 3.250 -4.305 -2.031 1.00 0.00 N flip ATOM 0 H GLN A 100 6.158 -2.952 -5.850 1.00 0.00 H new ATOM 0 HA GLN A 100 4.208 -3.609 -4.654 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.072 -0.944 -3.416 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.015 -2.326 -3.204 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.851 -2.767 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.954 -1.614 -1.446 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.019 -4.142 -3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.787 -5.054 -1.516 1.00 0.00 H new ATOM 1561 N THR A 101 3.508 -2.800 -6.838 1.00 0.00 N ATOM 1562 CA THR A 101 2.826 -2.458 -8.044 1.00 0.00 C ATOM 1563 C THR A 101 1.355 -2.804 -8.002 1.00 0.00 C ATOM 1564 O THR A 101 0.835 -3.796 -8.413 1.00 0.00 O ATOM 1565 CB THR A 101 3.366 -3.097 -9.334 1.00 0.00 C ATOM 1566 OG1 THR A 101 4.756 -2.938 -9.424 1.00 0.00 O ATOM 1567 CG2 THR A 101 2.634 -2.755 -10.626 1.00 0.00 C ATOM 0 H THR A 101 3.815 -3.770 -6.764 1.00 0.00 H new ATOM 0 HA THR A 101 3.001 -1.383 -8.085 1.00 0.00 H new ATOM 0 HB THR A 101 3.141 -4.158 -9.231 1.00 0.00 H new ATOM 0 HG1 THR A 101 5.097 -3.460 -10.180 1.00 0.00 H new ATOM 0 HG21 THR A 101 3.111 -3.267 -11.461 1.00 0.00 H new ATOM 0 HG22 THR A 101 1.595 -3.074 -10.551 1.00 0.00 H new ATOM 0 HG23 THR A 101 2.672 -1.678 -10.791 1.00 0.00 H new ATOM 1575 N TYR A 102 0.719 -1.804 -7.409 1.00 0.00 N ATOM 1576 CA TYR A 102 -0.720 -1.988 -7.279 1.00 0.00 C ATOM 1577 C TYR A 102 -1.297 -2.003 -8.700 1.00 0.00 C ATOM 1578 O TYR A 102 -1.110 -1.017 -9.391 1.00 0.00 O ATOM 1579 CB TYR A 102 -1.401 -0.868 -6.514 1.00 0.00 C ATOM 1580 CG TYR A 102 -0.680 -0.416 -5.311 1.00 0.00 C ATOM 1581 CD1 TYR A 102 0.398 0.444 -5.279 1.00 0.00 C ATOM 1582 CD2 TYR A 102 -1.110 -0.889 -4.071 1.00 0.00 C ATOM 1583 CE1 TYR A 102 0.983 0.799 -4.100 1.00 0.00 C ATOM 1584 CE2 TYR A 102 -0.480 -0.501 -2.929 1.00 0.00 C ATOM 1585 CZ TYR A 102 0.463 0.258 -2.916 1.00 0.00 C ATOM 1586 OH TYR A 102 1.000 0.566 -1.688 1.00 0.00 O ATOM 0 H TYR A 102 1.122 -0.941 -7.044 1.00 0.00 H new ATOM 0 HA TYR A 102 -0.896 -2.911 -6.726 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -1.533 -0.017 -7.183 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -2.397 -1.200 -6.221 1.00 0.00 H new ATOM 0 HD1 TYR A 102 0.786 0.843 -6.205 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.948 -1.568 -4.017 1.00 0.00 H new ATOM 0 HE1 TYR A 102 1.823 1.478 -4.079 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -0.839 -0.889 -1.987 1.00 0.00 H new ATOM 0 HH TYR A 102 0.504 0.095 -0.986 1.00 0.00 H new ATOM 1596 N THR A 103 -1.957 -3.162 -8.968 1.00 0.00 N ATOM 1597 CA THR A 103 -2.594 -3.401 -10.253 1.00 0.00 C ATOM 1598 C THR A 103 -4.060 -3.041 -9.942 1.00 0.00 C ATOM 1599 O THR A 103 -5.005 -3.796 -9.850 1.00 0.00 O ATOM 1600 CB THR A 103 -2.359 -4.807 -10.785 1.00 0.00 C ATOM 1601 OG1 THR A 103 -1.102 -4.949 -11.423 1.00 0.00 O ATOM 1602 CG2 THR A 103 -3.349 -5.320 -11.837 1.00 0.00 C ATOM 0 H THR A 103 -2.051 -3.930 -8.303 1.00 0.00 H new ATOM 0 HA THR A 103 -2.192 -2.812 -11.077 1.00 0.00 H new ATOM 0 HB THR A 103 -2.461 -5.380 -9.863 1.00 0.00 H new ATOM 0 HG1 THR A 103 -1.000 -5.869 -11.744 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.072 -6.332 -12.134 1.00 0.00 H new ATOM 0 HG22 THR A 103 -4.355 -5.327 -11.417 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.325 -4.666 -12.709 1.00 0.00 H new ATOM 1610 N TYR A 104 -4.121 -1.690 -9.781 1.00 0.00 N ATOM 1611 CA TYR A 104 -5.401 -1.057 -9.474 1.00 0.00 C ATOM 1612 C TYR A 104 -6.022 -0.524 -10.756 1.00 0.00 C ATOM 1613 O TYR A 104 -5.357 0.159 -11.531 1.00 0.00 O ATOM 1614 CB TYR A 104 -5.183 -0.026 -8.366 1.00 0.00 C ATOM 1615 CG TYR A 104 -6.255 0.972 -8.161 1.00 0.00 C ATOM 1616 CD1 TYR A 104 -6.567 1.861 -9.188 1.00 0.00 C ATOM 1617 CD2 TYR A 104 -7.037 1.166 -7.046 1.00 0.00 C ATOM 1618 CE1 TYR A 104 -7.545 2.821 -9.097 1.00 0.00 C ATOM 1619 CE2 TYR A 104 -8.009 2.153 -7.019 1.00 0.00 C ATOM 1620 CZ TYR A 104 -8.206 2.961 -8.117 1.00 0.00 C ATOM 1621 OH TYR A 104 -9.152 3.952 -8.122 1.00 0.00 O ATOM 0 H TYR A 104 -3.326 -1.055 -9.858 1.00 0.00 H new ATOM 0 HA TYR A 104 -6.131 -1.764 -9.081 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -5.034 -0.562 -7.428 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -4.257 0.509 -8.578 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -6.007 1.791 -10.109 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.891 0.539 -6.179 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.720 3.470 -9.942 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.614 2.289 -6.135 1.00 0.00 H new ATOM 0 HH TYR A 104 -9.949 3.641 -8.599 1.00 0.00 H new ATOM 1631 N GLU A 105 -7.293 -0.837 -10.977 1.00 0.00 N ATOM 1632 CA GLU A 105 -8.068 -0.440 -12.113 1.00 0.00 C ATOM 1633 C GLU A 105 -7.348 -0.340 -13.441 1.00 0.00 C ATOM 1634 O GLU A 105 -7.772 0.470 -14.282 1.00 0.00 O ATOM 1635 CB GLU A 105 -8.623 0.972 -11.756 1.00 0.00 C ATOM 1636 CG GLU A 105 -9.616 0.723 -10.610 1.00 0.00 C ATOM 1637 CD GLU A 105 -10.843 1.611 -10.763 1.00 0.00 C ATOM 1638 OE1 GLU A 105 -11.416 1.628 -11.857 1.00 0.00 O ATOM 1639 OE2 GLU A 105 -11.206 2.264 -9.776 1.00 0.00 O ATOM 0 H GLU A 105 -7.827 -1.408 -10.322 1.00 0.00 H new ATOM 0 HA GLU A 105 -8.811 -1.221 -12.277 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -7.823 1.645 -11.448 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -9.115 1.432 -12.613 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -9.917 -0.325 -10.603 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.133 0.922 -9.653 1.00 0.00 H new ATOM 1646 N GLY A 106 -6.284 -1.146 -13.632 1.00 0.00 N ATOM 1647 CA GLY A 106 -5.642 -1.007 -14.904 1.00 0.00 C ATOM 1648 C GLY A 106 -4.611 0.118 -15.022 1.00 0.00 C ATOM 1649 O GLY A 106 -4.460 0.696 -16.110 1.00 0.00 O ATOM 0 H GLY A 106 -5.898 -1.828 -12.980 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -5.150 -1.949 -15.144 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -6.411 -0.848 -15.660 1.00 0.00 H new ATOM 1653 N VAL A 107 -3.939 0.405 -13.904 1.00 0.00 N ATOM 1654 CA VAL A 107 -2.955 1.469 -13.957 1.00 0.00 C ATOM 1655 C VAL A 107 -1.559 0.912 -13.870 1.00 0.00 C ATOM 1656 O VAL A 107 -0.727 1.283 -14.685 1.00 0.00 O ATOM 1657 CB VAL A 107 -3.179 2.350 -12.705 1.00 0.00 C ATOM 1658 CG1 VAL A 107 -2.211 3.519 -12.619 1.00 0.00 C ATOM 1659 CG2 VAL A 107 -4.598 2.881 -12.611 1.00 0.00 C ATOM 0 H VAL A 107 -4.052 -0.059 -13.003 1.00 0.00 H new ATOM 0 HA VAL A 107 -3.062 2.021 -14.891 1.00 0.00 H new ATOM 0 HB VAL A 107 -2.993 1.681 -11.865 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.419 4.098 -11.720 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.189 3.143 -12.580 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.330 4.155 -13.496 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.699 3.492 -11.714 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -4.819 3.487 -13.490 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -5.297 2.046 -12.561 1.00 0.00 H new ATOM 1669 N GLU A 108 -1.383 0.035 -12.859 1.00 0.00 N ATOM 1670 CA GLU A 108 -0.074 -0.590 -12.657 1.00 0.00 C ATOM 1671 C GLU A 108 0.821 0.417 -11.947 1.00 0.00 C ATOM 1672 O GLU A 108 2.026 0.359 -12.205 1.00 0.00 O ATOM 1673 CB GLU A 108 0.539 -1.184 -13.917 1.00 0.00 C ATOM 1674 CG GLU A 108 1.273 -2.490 -13.562 1.00 0.00 C ATOM 1675 CD GLU A 108 1.785 -3.205 -14.797 1.00 0.00 C ATOM 1676 OE1 GLU A 108 0.971 -3.437 -15.689 1.00 0.00 O ATOM 1677 OE2 GLU A 108 2.977 -3.532 -14.850 1.00 0.00 O ATOM 0 H GLU A 108 -2.106 -0.244 -12.196 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.196 -1.471 -12.026 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.239 -1.380 -14.655 1.00 0.00 H new ATOM 0 HB3 GLU A 108 1.234 -0.474 -14.366 1.00 0.00 H new ATOM 0 HG2 GLU A 108 2.109 -2.268 -12.899 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.598 -3.148 -13.015 1.00 0.00 H new ATOM 1684 N ALA A 109 0.206 1.286 -11.082 1.00 0.00 N ATOM 1685 CA ALA A 109 1.118 2.196 -10.447 1.00 0.00 C ATOM 1686 C ALA A 109 2.132 1.413 -9.586 1.00 0.00 C ATOM 1687 O ALA A 109 1.833 0.248 -9.395 1.00 0.00 O ATOM 1688 CB ALA A 109 0.251 2.848 -9.362 1.00 0.00 C ATOM 0 H ALA A 109 -0.785 1.353 -10.851 1.00 0.00 H new ATOM 0 HA ALA A 109 1.604 2.836 -11.183 1.00 0.00 H new ATOM 0 HB1 ALA A 109 0.848 3.570 -8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -0.593 3.357 -9.828 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.118 2.081 -8.681 1.00 0.00 H new ATOM 1694 N LYS A 110 3.160 2.130 -9.195 1.00 0.00 N ATOM 1695 CA LYS A 110 4.113 1.399 -8.404 1.00 0.00 C ATOM 1696 C LYS A 110 4.641 2.237 -7.277 1.00 0.00 C ATOM 1697 O LYS A 110 4.652 1.728 -6.146 1.00 0.00 O ATOM 1698 CB LYS A 110 5.349 1.068 -9.297 1.00 0.00 C ATOM 1699 CG LYS A 110 4.843 0.257 -10.502 1.00 0.00 C ATOM 1700 CD LYS A 110 5.909 -0.624 -11.193 1.00 0.00 C ATOM 1701 CE LYS A 110 6.138 -0.341 -12.668 1.00 0.00 C ATOM 1702 NZ LYS A 110 5.524 -1.356 -13.529 1.00 0.00 N ATOM 0 H LYS A 110 3.348 3.114 -9.386 1.00 0.00 H new ATOM 0 HA LYS A 110 3.613 0.511 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 110 5.839 1.984 -9.629 1.00 0.00 H new ATOM 0 HB3 LYS A 110 6.088 0.498 -8.734 1.00 0.00 H new ATOM 0 HG2 LYS A 110 4.024 -0.382 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.432 0.948 -11.238 1.00 0.00 H new ATOM 0 HD2 LYS A 110 6.855 -0.499 -10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.618 -1.669 -11.083 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.729 0.639 -12.916 1.00 0.00 H new ATOM 0 HE3 LYS A 110 7.209 -0.299 -12.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.706 -1.122 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 5.932 -2.288 -13.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.498 -1.379 -13.361 1.00 0.00 H new ATOM 1716 N ARG A 111 5.021 3.430 -7.712 1.00 0.00 N ATOM 1717 CA ARG A 111 5.550 4.297 -6.659 1.00 0.00 C ATOM 1718 C ARG A 111 6.891 3.631 -6.246 1.00 0.00 C ATOM 1719 O ARG A 111 7.460 2.879 -6.992 1.00 0.00 O ATOM 1720 CB ARG A 111 4.568 4.400 -5.505 1.00 0.00 C ATOM 1721 CG ARG A 111 4.198 5.832 -5.137 1.00 0.00 C ATOM 1722 CD ARG A 111 2.903 6.266 -5.848 1.00 0.00 C ATOM 1723 NE ARG A 111 2.972 7.713 -5.845 1.00 0.00 N ATOM 1724 CZ ARG A 111 2.678 8.453 -4.756 1.00 0.00 C ATOM 1725 NH1 ARG A 111 2.310 7.835 -3.633 1.00 0.00 N ATOM 1726 NH2 ARG A 111 2.741 9.782 -4.751 1.00 0.00 N ATOM 0 H ARG A 111 4.985 3.794 -8.664 1.00 0.00 H new ATOM 0 HA ARG A 111 5.706 5.324 -6.989 1.00 0.00 H new ATOM 0 HB2 ARG A 111 3.660 3.855 -5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 111 4.996 3.909 -4.631 1.00 0.00 H new ATOM 0 HG2 ARG A 111 4.069 5.912 -4.058 1.00 0.00 H new ATOM 0 HG3 ARG A 111 5.011 6.504 -5.412 1.00 0.00 H new ATOM 0 HD2 ARG A 111 2.852 5.871 -6.862 1.00 0.00 H new ATOM 0 HD3 ARG A 111 2.019 5.907 -5.322 1.00 0.00 H new ATOM 0 HE ARG A 111 3.254 8.191 -6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 111 2.254 6.817 -3.606 1.00 0.00 H new ATOM 0 HH12 ARG A 111 2.085 8.380 -2.801 1.00 0.00 H new ATOM 0 HH21 ARG A 111 3.021 10.282 -5.595 1.00 0.00 H new ATOM 0 HH22 ARG A 111 2.509 10.300 -3.904 1.00 0.00 H new ATOM 1740 N ILE A 112 7.290 4.008 -4.991 1.00 0.00 N ATOM 1741 CA ILE A 112 8.527 3.373 -4.629 1.00 0.00 C ATOM 1742 C ILE A 112 8.789 3.426 -3.101 1.00 0.00 C ATOM 1743 O ILE A 112 8.964 4.514 -2.568 1.00 0.00 O ATOM 1744 CB ILE A 112 9.699 3.854 -5.474 1.00 0.00 C ATOM 1745 CG1 ILE A 112 10.642 2.685 -5.884 1.00 0.00 C ATOM 1746 CG2 ILE A 112 10.629 4.830 -4.825 1.00 0.00 C ATOM 1747 CD1 ILE A 112 11.133 2.739 -7.321 1.00 0.00 C ATOM 0 H ILE A 112 6.840 4.643 -4.332 1.00 0.00 H new ATOM 0 HA ILE A 112 8.423 2.314 -4.867 1.00 0.00 H new ATOM 0 HB ILE A 112 9.175 4.328 -6.304 1.00 0.00 H new ATOM 0 HG12 ILE A 112 11.506 2.683 -5.219 1.00 0.00 H new ATOM 0 HG13 ILE A 112 10.118 1.742 -5.729 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.421 5.098 -5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.077 5.726 -4.542 1.00 0.00 H new ATOM 0 HG23 ILE A 112 11.068 4.378 -3.935 1.00 0.00 H new ATOM 0 HD11 ILE A 112 11.783 1.886 -7.516 1.00 0.00 H new ATOM 0 HD12 ILE A 112 10.280 2.707 -7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 112 11.689 3.663 -7.481 1.00 0.00 H new ATOM 1759 N PHE A 113 8.781 2.190 -2.593 1.00 0.00 N ATOM 1760 CA PHE A 113 9.010 1.936 -1.204 1.00 0.00 C ATOM 1761 C PHE A 113 10.377 1.260 -1.111 1.00 0.00 C ATOM 1762 O PHE A 113 10.897 0.988 -2.186 1.00 0.00 O ATOM 1763 CB PHE A 113 8.011 0.980 -0.531 1.00 0.00 C ATOM 1764 CG PHE A 113 6.665 1.586 -0.438 1.00 0.00 C ATOM 1765 CD1 PHE A 113 6.442 2.961 -0.601 1.00 0.00 C ATOM 1766 CD2 PHE A 113 5.485 0.885 -0.186 1.00 0.00 C ATOM 1767 CE1 PHE A 113 5.186 3.564 -0.525 1.00 0.00 C ATOM 1768 CE2 PHE A 113 4.281 1.556 -0.122 1.00 0.00 C ATOM 1769 CZ PHE A 113 4.204 2.922 -0.307 1.00 0.00 C ATOM 0 H PHE A 113 8.614 1.351 -3.149 1.00 0.00 H new ATOM 0 HA PHE A 113 8.918 2.894 -0.693 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.955 0.051 -1.098 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.366 0.723 0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.296 3.593 -0.798 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.514 -0.185 -0.041 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.101 4.631 -0.666 1.00 0.00 H new ATOM 0 HE2 PHE A 113 3.377 0.999 0.078 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.245 3.415 -0.254 1.00 0.00 H new ATOM 1779 N LYS A 114 10.792 1.064 0.150 1.00 0.00 N ATOM 1780 CA LYS A 114 12.068 0.449 0.334 1.00 0.00 C ATOM 1781 C LYS A 114 12.507 0.349 1.791 1.00 0.00 C ATOM 1782 O LYS A 114 12.571 1.177 2.658 1.00 0.00 O ATOM 1783 CB LYS A 114 13.134 1.265 -0.419 1.00 0.00 C ATOM 1784 CG LYS A 114 12.853 2.755 -0.424 1.00 0.00 C ATOM 1785 CD LYS A 114 12.405 3.324 0.946 1.00 0.00 C ATOM 1786 CE LYS A 114 11.690 4.704 0.836 1.00 0.00 C ATOM 1787 NZ LYS A 114 12.480 5.760 0.260 1.00 0.00 N ATOM 0 H LYS A 114 10.281 1.313 0.997 1.00 0.00 H new ATOM 0 HA LYS A 114 11.969 -0.567 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 114 14.108 1.087 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 114 13.194 0.910 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 114 13.751 3.281 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.079 2.964 -1.162 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.733 2.612 1.425 1.00 0.00 H new ATOM 0 HD3 LYS A 114 13.277 3.425 1.592 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.787 4.580 0.238 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.373 5.011 1.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 11.920 6.636 0.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.330 5.913 0.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 12.762 5.496 -0.706 1.00 0.00 H new ATOM 1801 N LYS A 115 12.903 -0.910 2.044 1.00 0.00 N ATOM 1802 CA LYS A 115 13.432 -1.397 3.272 1.00 0.00 C ATOM 1803 C LYS A 115 14.510 -0.492 3.838 1.00 0.00 C ATOM 1804 O LYS A 115 15.067 0.436 3.277 1.00 0.00 O ATOM 1805 CB LYS A 115 14.033 -2.776 2.912 1.00 0.00 C ATOM 1806 CG LYS A 115 13.776 -3.749 4.089 1.00 0.00 C ATOM 1807 CD LYS A 115 15.104 -4.304 4.631 1.00 0.00 C ATOM 1808 CE LYS A 115 14.938 -5.176 5.855 1.00 0.00 C ATOM 1809 NZ LYS A 115 16.078 -5.176 6.751 1.00 0.00 N ATOM 0 H LYS A 115 12.847 -1.639 1.333 1.00 0.00 H new ATOM 0 HA LYS A 115 12.660 -1.447 4.039 1.00 0.00 H new ATOM 0 HB2 LYS A 115 13.579 -3.160 1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 115 15.103 -2.685 2.723 1.00 0.00 H new ATOM 0 HG2 LYS A 115 13.240 -3.232 4.885 1.00 0.00 H new ATOM 0 HG3 LYS A 115 13.141 -4.570 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 115 15.594 -4.881 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 115 15.764 -3.472 4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.058 -4.843 6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 115 14.744 -6.199 5.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 15.882 -5.797 7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 16.918 -5.522 6.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 16.253 -4.209 7.090 1.00 0.00 H new ATOM 1823 N GLU A 116 14.832 -0.838 5.107 1.00 0.00 N ATOM 1824 CA GLU A 116 15.827 -0.138 5.845 1.00 0.00 C ATOM 1825 C GLU A 116 17.210 -0.831 5.805 1.00 0.00 C ATOM 1826 O GLU A 116 17.412 -1.809 5.088 1.00 0.00 O ATOM 1827 CB GLU A 116 15.301 -0.071 7.302 1.00 0.00 C ATOM 1828 CG GLU A 116 14.463 1.120 7.693 1.00 0.00 C ATOM 1829 CD GLU A 116 14.495 1.398 9.205 1.00 0.00 C ATOM 1830 OE1 GLU A 116 13.742 0.730 9.917 1.00 0.00 O ATOM 1831 OE2 GLU A 116 15.260 2.270 9.614 1.00 0.00 O ATOM 1832 OXT GLU A 116 18.098 -0.361 6.520 1.00 0.00 O ATOM 0 H GLU A 116 14.395 -1.607 5.615 1.00 0.00 H new ATOM 0 HA GLU A 116 15.986 0.849 5.410 1.00 0.00 H new ATOM 0 HB2 GLU A 116 14.713 -0.970 7.487 1.00 0.00 H new ATOM 0 HB3 GLU A 116 16.161 -0.109 7.971 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.819 2.001 7.158 1.00 0.00 H new ATOM 0 HG3 GLU A 116 13.432 0.952 7.380 1.00 0.00 H new